4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridin-2-one

C16H14N6OS — CID 44588952

IUPAC4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCc1ccc(Cn2c(=O)[nH]c3c(N)nc(-c4nccs4)cc32)cn1
InChIInChI=1S/C16H14N6OS/c1-9-2-3-10(7-19-9)8-22-12-6-11(15-18-4-5-24-15)20-14(17)13(12)21-16(22)23/h2-7H,8H2,1H3,(H2,17,20)(H,21,23)
InChIKeyZEHRPEUWHHBEJK-UHFFFAOYSA-N
MW338.40 g/mol
LogP2.18
Rot. Bonds3

About 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridin-2-one

4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 44588952) has the molecular formula C16H14N6OS and a molecular weight of 338.40 g/mol. Its IUPAC name is 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID44588952
Molecular FormulaC16H14N6OS
Molecular Weight338.40 g/mol
Exact Mass338.09
IUPAC Name4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCc1ccc(Cn2c(=O)[nH]c3c(N)nc(-c4nccs4)cc32)cn1
InChIInChI=1S/C16H14N6OS/c1-9-2-3-10(7-19-9)8-22-12-6-11(15-18-4-5-24-15)20-14(17)13(12)21-16(22)23/h2-7H,8H2,1H3,(H2,17,20)(H,21,23)
InChIKeyZEHRPEUWHHBEJK-UHFFFAOYSA-N
XLogP2.18
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.40
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridin-2-one (CID 44588952) is 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridin-2-one is Cc1ccc(Cn2c(=O)[nH]c3c(N)nc(-c4nccs4)cc32)cn1.
What is the InChIKey of 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is ZEHRPEUWHHBEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6OS/c1-9-2-3-10(7-19-9)8-22-12-6-11(15-18-4-5-24-15)20-14(17)13(12)21-16(22)23/h2-7H,8H2,1H3,(H2,17,20)(H,21,23).
What are the key properties of 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridin-2-one?
4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 338.40 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(6-methyl-3-pyridinyl)methyl]-6-(1,3-thiazol-2-yl)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 44588952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).