2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide

C17H15N5O3S — CID 137442099

IUPAC2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3c(C)c(C#N)ncc3[nH]2)cc1O
InChIInChI=1S/C17H15N5O3S/c1-9-11(6-18)19-7-12-16(9)22-17(21-12)26-8-15(24)20-10-3-4-14(25-2)13(23)5-10/h3-5,7,23H,8H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyIZGYTCJOWJTOAB-UHFFFAOYSA-N
MW369.41 g/mol
LogP2.58
Rot. Bonds5

About 2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide

2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide (PubChem CID 137442099) has the molecular formula C17H15N5O3S and a molecular weight of 369.41 g/mol. Its IUPAC name is 2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide
PubChem CID137442099
Molecular FormulaC17H15N5O3S
Molecular Weight369.41 g/mol
Exact Mass369.09
IUPAC Name2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CSc2nc3c(C)c(C#N)ncc3[nH]2)cc1O
InChIInChI=1S/C17H15N5O3S/c1-9-11(6-18)19-7-12-16(9)22-17(21-12)26-8-15(24)20-10-3-4-14(25-2)13(23)5-10/h3-5,7,23H,8H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyIZGYTCJOWJTOAB-UHFFFAOYSA-N
XLogP2.58
TPSA123.92 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

Omeprazole
CID 4594
Esomeprazole
CID 9568614
Omeprazole sulfide
CID 155794
5-o-Desmethylomeprazole
CID 10404448
Hydroxyomeprazole
CID 119560
(r)-Omeprazole
CID 9579578
5-Hydroxy Lansoprazole Sulfide
CID 71749087
N-Benzo[1,3]dioxol-5-yl-2-(3H-imidazo[4,5-b]pyridin-2-ylsulfanyl)-acetamide
CID 586414
3-Hydroxyomeprazole
CID 71587579
2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 2042300
2-[(6-chloro-3H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
CID 3923762
N-(3,4-Dimethoxyphenyl)-2-{3H-imidazo[4,5-B]pyridin-2-ylsulfanyl}acetamide
CID 3260782

Frequently Asked Questions

What is the IUPAC name of 2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide?
The IUPAC name of 2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide (CID 137442099) is 2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CSc2nc3c(C)c(C#N)ncc3[nH]2)cc1O.
What is the InChIKey of 2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide?
The InChIKey is IZGYTCJOWJTOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3S/c1-9-11(6-18)19-7-12-16(9)22-17(21-12)26-8-15(24)20-10-3-4-14(25-2)13(23)5-10/h3-5,7,23H,8H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of 2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide?
2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide has a molecular weight of 369.41 g/mol, XLogP of 2.58, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-cyano-7-methyl-3H-imidazo[4,5-c]pyridin-2-yl)sulfanyl]-N-(3-hydroxy-4-methoxyphenyl)acetamide is sourced from PubChem (CID 137442099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).