57490530
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255
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7.8314
3.732
4.6783
5.9674
7.2566
5.6103
4.6783
3.732
4.9889
5.2619
2.866
2.866
2
7.5673
4.3211
2
6.2781
8.1886
8.5458
6.8994
4.6318
8.8564
7.2101
8.4993
9.4778
5.8819
2.866
2.866
1.4631
3.7144
1.4631
7.6707
8.9598
6.2928
9.4631
6.796
4.2177
9.6056
10.0844
9.3499
4.3323
-2.8323
-4.137
-1.3708
-0.2141
0.324
-2.5276
-3.8323
-1.577
-3.3323
-2.3323
-4.3323
-2.8323
0.7364
-0.8327
-3.8323
-0.4203
2.6375
0.9427
1.4807
0.1178
1.8932
2.4313
3.588
3.7942
-3.3323
-1.7123
-4.9523
-2.5223
-0.9606
-4.1423
-0.6756
0.4812
1.3529
2.021
2.8927
0.5792
3.1875
3.9221
4.4009
8
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23
0
Compound
Canonicalized
5
2012.05.21
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
465
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
5
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.408
Cactvs
xemistry.com
2012.11.26
1
Count
Rotatable Bond
5
E_NROTBONDS
3.408
Cactvs
xemistry.com
2012.11.26
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371C07BA0000000000000000000000000000001600000003C588000000000005801FC00001E00100000000C0CC19F043FF09FCC1800A803B677640082802D3512A009D8213874D88868F2C0DDD1942508689002C8C9A71889809E08000000000000001000000000000000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
1-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]ethanone
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
1-[4-[[4-(3-imidazo[1,2-a]pyridinyl)-2-pyrimidinyl]amino]phenyl]ethanone
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
1-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]ethanone
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
1-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]ethanone
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
1-[4-[(4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]ethanone
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C19H15N5O/c1-13(25)14-5-7-15(8-6-14)22-19-20-10-9-16(23-19)17-12-21-18-4-2-3-11-24(17)18/h2-12H,1H3,(H,20,22,23)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
FVKOYDYAUFBKQE-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
3.3
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
329.12766
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C19H15N5O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
329.3553
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CC(=O)C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CN=C4N3C=CC=C4
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CC(=O)C1=CC=C(C=C1)NC2=NC=CC(=N2)C3=CN=C4N3C=CC=C4
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
72.2
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
329.12766
25
0
0
0
0
0
0
0
1
11