49789823
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24
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255
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12.2546
6.3301
8.0622
9.0084
11.8974
14.1651
7.1962
9.0084
8.0622
9.3191
7.1962
7.1962
6.3301
9.592
6.3301
10.2976
10.6082
8.6512
12.8759
13.1866
9.9404
11.5867
8.9619
5.4641
4.5981
14.4757
14.8329
3.732
6.3301
3.732
2.866
2.866
2
2
7.1962
10.212
5.7932
10.7116
8.0445
12.8965
13.4897
13.166
12.5727
10.133
8.5478
11.4833
5.4641
7.7331
4.5981
15.0651
14.6683
13.8864
14.3714
15.247
15.2944
5.7932
4.269
2.866
2.866
1.4631
1.4631
0.9328
-4.9411
-0.9411
-2.2458
2.6276
3.9906
-3.4411
-0.6364
-1.9411
0.3141
-0.4411
-2.4411
-0.9411
-1.4411
-1.9411
0.5204
1.4709
1.0584
2.8338
3.7844
2.2152
1.6771
2.009
-0.4411
-0.9411
4.9411
3.2463
-0.4411
-3.9411
0.5589
-0.9411
1.0589
-0.4411
0.5589
0.1789
-1.4411
-2.2511
0.0589
0.9306
2.2142
2.7465
4.404
3.8717
2.8045
2.4704
3.0891
0.1789
-3.7511
-1.5611
4.7485
5.5304
5.1337
2.8322
2.7848
3.6604
-3.6311
0.8689
-1.5611
1.6789
-0.7511
0.8689
8
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34
0
Compound
Canonicalized
5
2010.09.21
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
693
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
4
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
2
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
8
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07BB0000000000000000000000000000001600000003C608000000000005801F400001E00100000000C08C19F063FF09FCC1800A8033777F40082802D3512A009D8A13874D88868F2C09D91942108689602C8C9A71889C09E00000200000000000000040000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[2-(dimethylamino)ethyl]-3-[8-formamido-6-[(E)-styryl]imidazo[1,2-a]pyridin-3-yl]benzamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[2-(dimethylamino)ethyl]-3-[8-formamido-6-[(E)-2-phenylethenyl]-3-imidazo[1,2-a]pyridinyl]benzamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[2-(dimethylamino)ethyl]-3-[8-formamido-6-[(E)-2-phenylethenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[2-(dimethylamino)ethyl]-3-[8-formamido-6-[(E)-2-phenylethenyl]imidazo[1,2-a]pyridin-3-yl]benzamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[2-(dimethylamino)ethyl]-3-[8-formamido-6-[(E)-styryl]imidazo[1,2-a]pyridin-3-yl]benzamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C27H27N5O2/c1-31(2)14-13-28-27(34)23-10-6-9-22(16-23)25-17-29-26-24(30-19-33)15-21(18-32(25)26)12-11-20-7-4-3-5-8-20/h3-12,15-19H,13-14H2,1-2H3,(H,28,34)(H,30,33)/b12-11+
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
IDHRSILOWGKPLX-VAWYXSNFSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
4.2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
453.216475
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C27H27N5O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
453.53558
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CN(C)CCNC(=O)C1=CC=CC(=C1)C2=CN=C3N2C=C(C=C3NC=O)C=CC4=CC=CC=C4
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CN(C)CCNC(=O)C1=CC=CC(=C1)C2=CN=C3N2C=C(C=C3NC=O)/C=C/C4=CC=CC=C4
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
78.7
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
453.216475
34
0
0
0
1
1
0
0
1
4