49789314
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7.1962
13.9866
4.5981
2.866
9.7942
10.7404
8.9282
4.5981
3.732
3.732
2.866
5.4641
2
5.4641
6.3301
7.1962
8.0622
6.3301
7.1962
8.9282
9.7942
10.7404
8.0622
8.9282
11.0511
11.3241
12.0296
10.3833
12.3403
10.6939
8.0622
11.6724
13.3188
8.0622
13.6294
5.2087
4.8101
3.3335
4.1306
4.1306
3.3335
2.2554
2.654
2.31
1.4631
1.69
4.9272
6.3301
6.3301
7.7331
8.9282
7.5252
11.9441
9.4651
12.4437
9.7766
10.2799
11.865
7.4422
8.0622
8.6822
14.2188
13.8221
13.0401
-2.2844
2.0895
2.2156
3.2156
0.2156
-1.0891
-2.2844
3.2156
1.7156
3.7156
2.2156
1.7156
3.7156
0.7156
2.2156
0.7156
0.2156
0.2156
1.7156
0.7156
-0.7844
0.5204
-0.7844
-1.2844
1.4709
-0.2844
1.6771
2.2152
2.6276
3.1657
-2.7844
3.3719
2.8338
-3.7844
3.7844
3.108
3.7982
1.2407
1.2407
4.1906
4.1906
2.3233
1.633
4.2526
4.0256
3.1787
0.4056
2.8356
-0.4044
2.0256
1.3356
-1.0944
-0.2844
-2.5944
1.2156
2.0873
3.6272
3.9612
-3.7844
-4.4044
-3.7844
3.5918
4.3737
3.977
8
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
746
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
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
00000371E07BB0000000000000000000000000000001600000003C788100000000005801F400001E00100000000C0CC19F043FF09FCC1800A803B777740082802D3512A009D8213874D88868F2C09D91942108689402C8C9A71889C09E88000200000000001000040000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[3-(3-acetylphenyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[3-(3-acetylphenyl)-6-[4-(4-methyl-1-piperazinyl)phenyl]-8-imidazo[1,2-a]pyridinyl]acetamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[3-(3-acetylphenyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[3-(3-ethanoylphenyl)-6-[4-(4-methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-8-yl]ethanamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[3-(3-acetylphenyl)-6-[4-(4-methylpiperazino)phenyl]imidazo[1,2-a]pyridin-8-yl]acetamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C28H29N5O2/c1-19(34)22-5-4-6-23(15-22)27-17-29-28-26(30-20(2)35)16-24(18-33(27)28)21-7-9-25(10-8-21)32-13-11-31(3)12-14-32/h4-10,15-18H,11-14H2,1-3H3,(H,30,35)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
CVRXBWHPGSWVHX-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
3.8
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
467.232125
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C28H29N5O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
467.56216
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CC(=O)C1=CC=CC(=C1)C2=CN=C3N2C=C(C=C3NC(=O)C)C4=CC=C(C=C4)N5CCN(CC5)C
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CC(=O)C1=CC=CC(=C1)C2=CN=C3N2C=C(C=C3NC(=O)C)C4=CC=C(C=C4)N5CCN(CC5)C
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
70
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
467.232125
35
0
0
0
0
0
0
0
1
6