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

C18H21N5O2 — CID 175603771

IUPAC3-methyl-6-[(4-methyl-3-pyridinyl)amino]-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one
SMILESCc1ccncc1Nc1cc2c(cn1)n(C)c(=O)n2C1CCOCC1
InChIInChI=1S/C18H21N5O2/c1-12-3-6-19-10-14(12)21-17-9-15-16(11-20-17)22(2)18(24)23(15)13-4-7-25-8-5-13/h3,6,9-11,13H,4-5,7-8H2,1-2H3,(H,20,21)
InChIKeyLTZPCJRBKGMNAH-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.53
Rot. Bonds3

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

3-methyl-6-[(4-methyl-3-pyridinyl)amino]-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one (PubChem CID 175603771) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-methyl-6-[(4-methyl-3-pyridinyl)amino]-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-methyl-6-[(4-methyl-3-pyridinyl)amino]-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one
PubChem CID175603771
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name3-methyl-6-[(4-methyl-3-pyridinyl)amino]-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one
SMILESCc1ccncc1Nc1cc2c(cn1)n(C)c(=O)n2C1CCOCC1
InChIInChI=1S/C18H21N5O2/c1-12-3-6-19-10-14(12)21-17-9-15-16(11-20-17)22(2)18(24)23(15)13-4-7-25-8-5-13/h3,6,9-11,13H,4-5,7-8H2,1-2H3,(H,20,21)
InChIKeyLTZPCJRBKGMNAH-UHFFFAOYSA-N
XLogP2.53
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-[(2,5-dimethyl-1,3-benzothiazol-6-yl)amino]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one
CID 163220074
1-cyclopentyl-3-methyl-6-(pyridin-4-ylamino)imidazo[4,5-c]pyridin-2-one
CID 163219966
3-methyl-6-[2-methyl-4-[1-(3-methyl-2-nitroimidazol-4-yl)ethoxy]anilino]-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one
CID 163220191
1-cyclopentyl-3-methyl-6-(2-methyl-4-methylsulfonylanilino)imidazo[4,5-c]pyridin-2-one
CID 163219972
6-(4-methoxy-2-methylanilino)-3-methyl-1-piperidin-4-ylimidazo[4,5-c]pyridin-2-one;hydrochloride
CID 163219978
2-[(6-deuteriooxy-4-methyl-3-pyridinyl)amino]-7-methyl-9-(oxan-4-yl)purin-8-one
CID 168776530
1,3-dicyclopentyl-6-(4-methoxy-2-methylanilino)imidazo[4,5-c]pyridin-2-one
CID 163220211
3-methyl-6-[(7-methylquinoxalin-6-yl)amino]-1-morpholin-4-ylimidazo[4,5-c]pyridin-2-one
CID 167506039
2-[[6-(2,5-dihydrofuran-3-yl)-4-methyl-3-pyridinyl]amino]-7-methyl-9-(oxan-4-yl)purin-8-one
CID 164903281
7-methyl-2-[[4-methyl-6-(4-methylimidazol-1-yl)-3-pyridinyl]amino]-9-(oxan-4-yl)purin-8-one
CID 164903320
4-methyl-5-[[7-methyl-9-(oxan-4-yl)-8-oxopurin-2-yl]amino]-2-(2-methylpyrazol-3-yl)benzonitrile
CID 164544728
2-[(5-methoxy-3-methyl-2-pyridinyl)amino]-7-methyl-9-(oxan-4-yl)purin-8-one
CID 156889807

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(4-methyl-3-pyridinyl)amino]-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-methyl-6-[(4-methyl-3-pyridinyl)amino]-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one (CID 175603771) is 3-methyl-6-[(4-methyl-3-pyridinyl)amino]-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-methyl-6-[(4-methyl-3-pyridinyl)amino]-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-methyl-6-[(4-methyl-3-pyridinyl)amino]-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one is Cc1ccncc1Nc1cc2c(cn1)n(C)c(=O)n2C1CCOCC1.
What is the InChIKey of 3-methyl-6-[(4-methyl-3-pyridinyl)amino]-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one?
The InChIKey is LTZPCJRBKGMNAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12-3-6-19-10-14(12)21-17-9-15-16(11-20-17)22(2)18(24)23(15)13-4-7-25-8-5-13/h3,6,9-11,13H,4-5,7-8H2,1-2H3,(H,20,21).
What are the key properties of 3-methyl-6-[(4-methyl-3-pyridinyl)amino]-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one?
3-methyl-6-[(4-methyl-3-pyridinyl)amino]-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one has a molecular weight of 339.40 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[(4-methyl-3-pyridinyl)amino]-1-(oxan-4-yl)imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 175603771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).