636411
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10
13
-1
3
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255
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7.9939
11.4939
8.4939
2.866
6.4103
9.9939
6.4103
4.5981
9.4939
8.4939
9.9939
10.9939
6.9939
11.4939
5.4641
5.4641
9.4939
10.9939
12.4939
4.5981
3.732
3.732
12.4939
2
7.9113
8.6016
6.6029
10.0309
9.1839
8.957
11.3039
4.5981
12.4939
13.1139
12.4939
3.1951
12.4939
13.1139
12.4939
2.31
1.4631
1.69
0.169
1.035
1.035
-0.831
0.9737
-1.563
-0.6357
-0.831
-0.697
-0.697
0.169
0.169
0.169
-0.697
0.669
-0.331
1.035
-1.563
-0.697
1.169
0.669
-0.331
1.035
-0.331
-0.9091
-1.3076
1.563
1.345
1.572
0.725
-2.1
1.789
-1.317
-0.697
-0.077
0.979
0.415
1.035
1.655
0.2059
-0.021
-0.8679
3
8
8
8
8
8
8
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8
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8
1
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21
10
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9
18
13
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22
11
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20
21
22
0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
455
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
7
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
00000371E07BB0004000000000000000000000000001600000002C580000000000005801FE00001E04100000000C0CC5DF06BFF6BEC9940AA00336676440CADA2DF132B009D9203E7C988C6EE2E4B99B9430286ED01BC8E827B010020E00000000000000000000000000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
5-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
5-methoxy-2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
5-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]-1H-imidazo[4,5-b]pyridine
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C16H18N4O3S/c1-9-7-17-12(10(2)14(9)23-4)8-24(21)16-18-11-5-6-13(22-3)19-15(11)20-16/h5-7H,8H2,1-4H3,(H,18,19,20)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
ZBFDAUIVDSSISP-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
1.8
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
346.109961
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C16H18N4O3S
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
346.40412
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=CC(=N3)OC
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=C(N2)C=CC(=N3)OC
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
109
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
346.109961
24
1
0
1
0
0
0
0
1
3