1-(cyclopropylmethyl)-5-(2,4-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one

C17H15F2N3O — CID 54760492

IUPAC1-(cyclopropylmethyl)-5-(2,4-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC2CC2)c2ccc(-c3ccc(F)cc3F)nc21
InChIInChI=1S/C17H15F2N3O/c1-21-16-15(22(17(21)23)9-10-2-3-10)7-6-14(20-16)12-5-4-11(18)8-13(12)19/h4-8,10H,2-3,9H2,1H3
InChIKeyAIQQYYMPTJWESR-UHFFFAOYSA-N
MW315.32 g/mol
LogP3.09
Rot. Bonds3

About 1-(cyclopropylmethyl)-5-(2,4-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one

1-(cyclopropylmethyl)-5-(2,4-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one (PubChem CID 54760492) has the molecular formula C17H15F2N3O and a molecular weight of 315.32 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-(2,4-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-(2,4-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one
PubChem CID54760492
Molecular FormulaC17H15F2N3O
Molecular Weight315.32 g/mol
Exact Mass315.12
IUPAC Name1-(cyclopropylmethyl)-5-(2,4-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one
SMILESCn1c(=O)n(CC2CC2)c2ccc(-c3ccc(F)cc3F)nc21
InChIInChI=1S/C17H15F2N3O/c1-21-16-15(22(17(21)23)9-10-2-3-10)7-6-14(20-16)12-5-4-11(18)8-13(12)19/h4-8,10H,2-3,9H2,1H3
InChIKeyAIQQYYMPTJWESR-UHFFFAOYSA-N
XLogP3.09
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-(2,4-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-5-(2,4-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one (CID 54760492) is 1-(cyclopropylmethyl)-5-(2,4-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-(2,4-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-5-(2,4-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one is Cn1c(=O)n(CC2CC2)c2ccc(-c3ccc(F)cc3F)nc21.
What is the InChIKey of 1-(cyclopropylmethyl)-5-(2,4-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one?
The InChIKey is AIQQYYMPTJWESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O/c1-21-16-15(22(17(21)23)9-10-2-3-10)7-6-14(20-16)12-5-4-11(18)8-13(12)19/h4-8,10H,2-3,9H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-5-(2,4-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one?
1-(cyclopropylmethyl)-5-(2,4-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one has a molecular weight of 315.32 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-(2,4-difluorophenyl)-3-methylimidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 54760492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).