46948517
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2.5369
11.9255
6.001
7.7331
8.6793
6.8671
11.5683
13.836
8.6793
7.7331
6.001
6.8671
6.8671
5.135
8.99
6.001
9.2629
5.135
4.269
9.9685
4.269
3.403
10.2791
8.3221
3.403
12.5468
12.8575
9.6113
8.6328
11.2576
4.269
2.5369
6.001
14.1466
14.5038
6.8671
5.4641
9.8829
5.672
4.269
10.3825
7.7154
7.404
12.5674
13.1606
12.8369
12.2437
9.8039
8.2187
11.1542
4.889
4.269
3.649
2.2269
2
2.8469
5.4641
14.736
14.3393
13.5573
14.0424
14.9179
14.9653
2
1.0589
0.9328
-4.9411
-0.9411
-2.2458
-3.4411
2.6276
3.9906
-0.6364
-1.9411
-0.9411
-0.4411
-2.4411
-0.4411
0.3141
-1.9411
-1.4411
0.5589
-0.9411
0.5204
1.0589
-0.4411
1.4709
1.0584
0.5589
2.8338
3.7844
2.2152
2.009
1.6771
2.0589
-0.9411
-3.9411
4.9411
3.2463
0.1789
-2.2511
-1.4411
0.8689
-1.5611
0.0589
0.9306
-3.7511
2.2142
2.7465
4.404
3.8717
2.8045
2.4704
3.0891
2.0589
2.6789
2.0589
-0.4042
-1.2511
-1.478
-3.6311
4.7485
5.5304
5.1337
2.8322
2.7848
3.6604
0.7489
8
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0
Compound
Canonicalized
5
2010.09.21
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
709
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
5
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
3
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
7
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07BB0000000000000000000000000000001600000003C608000000000005801F400001E00100800000C0CC19F063FF69FCC1A00A8033777F40082802D3532A009D8A13C7CD8886EF2C29D939471086CD613C8D9A798C9F09EA0000200000800004000040000100000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[2-(dimethylamino)ethyl]-3-[8-formamido-6-(4-hydroxy-3,5-dimethyl-phenyl)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-(4-hydroxy-3,5-dimethylphenyl)-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-(4-hydroxy-3,5-dimethylphenyl)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-[6-(3,5-dimethyl-4-oxidanyl-phenyl)-8-formamido-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-(4-hydroxy-3,5-dimethyl-phenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C27H29N5O3/c1-17-10-21(11-18(2)25(17)34)22-13-23(30-16-33)26-29-14-24(32(26)15-22)19-6-5-7-20(12-19)27(35)28-8-9-31(3)4/h5-7,10-16,34H,8-9H2,1-4H3,(H,28,35)(H,30,33)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
ALLZXGMFUFWSIW-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
3.9
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
471.22704
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C27H29N5O3
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
471.55086
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CC1=CC(=CC(=C1O)C)C2=CN3C(=CN=C3C(=C2)NC=O)C4=CC(=CC=C4)C(=O)NCCN(C)C
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CC1=CC(=CC(=C1O)C)C2=CN3C(=CN=C3C(=C2)NC=O)C4=CC(=CC=C4)C(=O)NCCN(C)C
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
99
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
471.22704
35
0
0
0
0
0
0
0
1
8