10400705
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5.2531
4.6783
4.6783
2
7.2101
3.732
4.9889
5.2619
3.732
5.9674
4.3211
2.866
5.6103
6.2619
6.2781
4.6318
2.866
2
5.9209
6.8994
6.3815
3.7144
2.866
6.2619
6.8819
6.2619
6.8848
4.2177
2.866
1.4631
6.92
7.5132
7.8168
6.796
2.7386
-1.8078
-3.4172
-3.1125
3.151
-2.1125
-0.8573
-2.6125
-3.1125
-0.651
-0.113
-1.6125
1.0438
-2.6125
0.2995
0.8376
-3.6125
-2.1125
1.9943
2.2005
-1.1125
-0.2408
-0.9925
-3.2325
-2.6125
-1.9925
0.4273
1.299
-4.2325
-1.8025
1.5809
2.1132
3.2789
3.6125
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
8
2
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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
354
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
1
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
3
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371C073A0000000000000000000000000000001600000003C400000000000005801FC00001E00100000000C0CC19F043FD0B74C1000A803B677640082802D3512A009D8A1B874D88868F2C0DDD1942508688002C8C9A71889809E08000000000000001000000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-amino-1-[4-(2-methyl-1-imidazo[4,5-c]pyridinyl)phenyl]ethanone
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-azanyl-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-amino-1-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]ethanone
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C15H14N4O/c1-10-18-13-9-17-7-6-14(13)19(10)12-4-2-11(3-5-12)15(20)8-16/h2-7,9H,8,16H2,1H3
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
JYQNQUQEXIKBPN-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
1.2
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
266.116761
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C15H14N4O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
266.29786
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CC1=NC2=C(N1C3=CC=C(C=C3)C(=O)CN)C=CN=C2
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CC1=NC2=C(N1C3=CC=C(C=C3)C(=O)CN)C=CN=C2
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
73.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
266.116761
20
0
0
0
0
0
0
0
1
3