16555777
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255
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9.5639
4.982
4.393
4.982
5.2927
4.9355
3.6464
5.3392
4.393
5.9228
5.3392
3.527
3.527
5.6499
6.9228
5.6499
2.661
2.661
6.6284
7.2962
6.939
8.2747
7.9176
8.5854
4.6249
4.2677
2.9785
3.2892
4.5783
2
3.527
3.527
6.9228
7.5428
6.9228
6.2566
2.124
2.124
7.1036
6.525
8.6888
8.1102
5.8994
2.8751
3.989
4.771
5.1677
2.1279
1.3933
1.8721
4.4409
4.3603
2.3608
-0.6388
-1.5893
-3.2841
-2.1274
2.6655
1.3607
1.8608
1.056
2.8608
0.8608
3.616
1.8608
0.1055
2.3608
1.3607
3.8222
3.0779
4.7728
3.2841
4.979
4.2347
-2.3336
-4.0284
-2.8717
-3.8222
-4.979
-2.6655
3.4808
0.2408
1.2408
1.8608
2.4808
-0.0224
2.6708
1.0508
2.4886
5.2342
2.8227
5.5683
-1.7172
-4.2837
-5.1716
-5.5683
-4.7864
-2.0588
-2.5376
-3.2722
8
8
8
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8
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8
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8
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8
8
8
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8
3
3
3
6
6
7
7
8
9
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17
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27
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9
12
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26
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27
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0
Compound
Canonicalized
5
2010.01.29
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
613
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
6
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
1
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
5
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07BA1000000000000000000000000000001600000003C588000000000005801FC00001F00180000000C0CC19E0C3FD0B76E1800A803B47764009280293702A00DD821B864D88828F2C0DDF1842508688802C8C9A71889C09E80000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
[1-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazono]methyl]-2-methyl-indolizin-3-yl]-(4-fluorophenyl)methanone
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
[1-[(E)-[(4,6-dimethyl-2-pyrimidinyl)hydrazinylidene]methyl]-2-methyl-3-indolizinyl]-(4-fluorophenyl)methanone
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
[1-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methylindolizin-3-yl]-(4-fluorophenyl)methanone
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
[1-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazinylidene]methyl]-2-methyl-indolizin-3-yl]-(4-fluorophenyl)methanone
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
[1-[(E)-[(4,6-dimethylpyrimidin-2-yl)hydrazono]methyl]-2-methyl-indolizin-3-yl]-(4-fluorophenyl)methanone
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C23H20FN5O/c1-14-12-15(2)27-23(26-14)28-25-13-19-16(3)21(29-11-5-4-6-20(19)29)22(30)17-7-9-18(24)10-8-17/h4-13H,1-3H3,(H,26,27,28)/b25-13+
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
IVBWVVZQOOMGEN-DHRITJCHSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
5.7
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
401.165189
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C23H20FN5O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
401.436203
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CC1=CC(=NC(=N1)NN=CC2=C3C=CC=CN3C(=C2C)C(=O)C4=CC=C(C=C4)F)C
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CC1=CC(=NC(=N1)N/N=C/C2=C3C=CC=CN3C(=C2C)C(=O)C4=CC=C(C=C4)F)C
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
71.6
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
401.165189
30
0
0
0
1
1
0
0
1
5