69092929
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5.1871
4.5981
6.1279
4.5981
6.8335
2.866
4.5981
3.732
5.5443
2.866
5.5443
3.732
2.866
3.732
5.855
2
5.855
2.866
4.5981
3.732
3.732
2.3291
6.4443
6.0476
5.2656
2.31
1.4631
1.69
2.3291
5.135
7.0261
7.2475
3.732
-3.2242
-0.2246
-0.7246
1.7754
-2.6861
2.7754
-1.2246
0.2754
0.0801
-0.2246
-1.5293
-1.7246
-1.2246
1.2754
1.0306
0.2754
-2.4799
1.7754
2.7754
3.2754
-2.3446
-1.5346
0.838
1.62
1.2233
0.8123
0.5854
-0.2615
1.4654
3.0854
-3.2754
-2.2246
3.8954
8
8
8
8
8
8
8
8
8
8
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8
8
2
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0
Compound
Canonicalized
5
2012.11.26
1
Compound Complexity
7
E_COMPLEXITY
3.408
Cactvs
xemistry.com
2012.11.26
377
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.408
Cactvs
xemistry.com
2012.11.26
4
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
2
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.408
Cactvs
xemistry.com
2012.11.26
00000371C073A0000000000000000000000000000001600000002C580000000000005801F800001E00100000000C08C19F043FD0B74C1800A8033777740082802D3712A009D821B874D88868FAC0DDB1942188688002C8C9671888C08E00000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.2.0
LexiChem
openeye.com
2012.11.26
3,6-dimethyl-5-pyrazin-2-yl-imidazo[1,5-a]pyridine-1-carboxamide
IUPAC Name
CAS-like Style
1
2.2.0
LexiChem
openeye.com
2012.11.26
3,6-dimethyl-5-(2-pyrazinyl)-1-imidazo[1,5-a]pyridinecarboxamide
IUPAC Name
Preferred
1
2.2.0
LexiChem
openeye.com
2012.11.26
3,6-dimethyl-5-pyrazin-2-ylimidazo[1,5-a]pyridine-1-carboxamide
IUPAC Name
Systematic
1
2.2.0
LexiChem
openeye.com
2012.11.26
3,6-dimethyl-5-pyrazin-2-yl-imidazo[1,5-a]pyridine-1-carboxamide
IUPAC Name
Traditional
1
2.2.0
LexiChem
openeye.com
2012.11.26
3,6-dimethyl-5-pyrazin-2-yl-imidazo[1,5-a]pyridine-1-carboxamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
InChI=1S/C14H13N5O/c1-8-3-4-11-12(14(15)20)18-9(2)19(11)13(8)10-7-16-5-6-17-10/h3-7H,1-2H3,(H2,15,20)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.11.26
NAFXTLHVYOWFAO-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.11.26
1.4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
267.11201
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
C14H13N5O
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
267.28592
SMILES
Canonical
1
1.9.0
OEChem
openeye.com
2012.11.26
CC1=C(N2C(=NC(=C2C=C1)C(=O)N)C)C3=NC=CN=C3
SMILES
Isomeric
1
1.9.0
OEChem
openeye.com
2012.11.26
CC1=C(N2C(=NC(=C2C=C1)C(=O)N)C)C3=NC=CN=C3
Topological
Polar Surface Area
7
E_TPSA
3.408
Cactvs
xemistry.com
2012.11.26
86.2
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.11.26
267.11201
20
0
0
0
0
0
0
0
1
2