6-(2,4-difluoro-3-methylphenyl)-1-[(3-methyl-2-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one

C20H16F2N4O — CID 134417315

IUPAC6-(2,4-difluoro-3-methylphenyl)-1-[(3-methyl-2-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCc1cccnc1Cn1c(=O)[nH]c2ncc(-c3ccc(F)c(C)c3F)cc21
InChIInChI=1S/C20H16F2N4O/c1-11-4-3-7-23-16(11)10-26-17-8-13(9-24-19(17)25-20(26)27)14-5-6-15(21)12(2)18(14)22/h3-9H,10H2,1-2H3,(H,24,25,27)
InChIKeyIAASGYMRJNKPON-UHFFFAOYSA-N
MW366.37 g/mol
LogP3.73
Rot. Bonds3

About 6-(2,4-difluoro-3-methylphenyl)-1-[(3-methyl-2-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one

6-(2,4-difluoro-3-methylphenyl)-1-[(3-methyl-2-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 134417315) has the molecular formula C20H16F2N4O and a molecular weight of 366.37 g/mol. Its IUPAC name is 6-(2,4-difluoro-3-methylphenyl)-1-[(3-methyl-2-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name6-(2,4-difluoro-3-methylphenyl)-1-[(3-methyl-2-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID134417315
Molecular FormulaC20H16F2N4O
Molecular Weight366.37 g/mol
Exact Mass366.13
IUPAC Name6-(2,4-difluoro-3-methylphenyl)-1-[(3-methyl-2-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESCc1cccnc1Cn1c(=O)[nH]c2ncc(-c3ccc(F)c(C)c3F)cc21
InChIInChI=1S/C20H16F2N4O/c1-11-4-3-7-23-16(11)10-26-17-8-13(9-24-19(17)25-20(26)27)14-5-6-15(21)12(2)18(14)22/h3-9H,10H2,1-2H3,(H,24,25,27)
InChIKeyIAASGYMRJNKPON-UHFFFAOYSA-N
XLogP3.73
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4-difluoro-3-methylphenyl)-1-[(3-methyl-2-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 6-(2,4-difluoro-3-methylphenyl)-1-[(3-methyl-2-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one (CID 134417315) is 6-(2,4-difluoro-3-methylphenyl)-1-[(3-methyl-2-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 6-(2,4-difluoro-3-methylphenyl)-1-[(3-methyl-2-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 6-(2,4-difluoro-3-methylphenyl)-1-[(3-methyl-2-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one is Cc1cccnc1Cn1c(=O)[nH]c2ncc(-c3ccc(F)c(C)c3F)cc21.
What is the InChIKey of 6-(2,4-difluoro-3-methylphenyl)-1-[(3-methyl-2-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is IAASGYMRJNKPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N4O/c1-11-4-3-7-23-16(11)10-26-17-8-13(9-24-19(17)25-20(26)27)14-5-6-15(21)12(2)18(14)22/h3-9H,10H2,1-2H3,(H,24,25,27).
What are the key properties of 6-(2,4-difluoro-3-methylphenyl)-1-[(3-methyl-2-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one?
6-(2,4-difluoro-3-methylphenyl)-1-[(3-methyl-2-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 366.37 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4-difluoro-3-methylphenyl)-1-[(3-methyl-2-pyridinyl)methyl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 134417315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).