4-[(2-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-3-yl)methyl]-7,8-difluoro-1H-quinolin-2-one

C21H18F2N4O2 — CID 25211596

IUPAC4-[(2-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-3-yl)methyl]-7,8-difluoro-1H-quinolin-2-one
SMILESCOc1ccnc2c1nc(C1CCC1)n2Cc1cc(=O)[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C21H18F2N4O2/c1-29-15-7-8-24-21-19(15)26-20(11-3-2-4-11)27(21)10-12-9-16(28)25-18-13(12)5-6-14(22)17(18)23/h5-9,11H,2-4,10H2,1H3,(H,25,28)
InChIKeyOBPMKZUKZANIQJ-UHFFFAOYSA-N
MW396.40 g/mol
LogP3.88
Rot. Bonds4

About 4-[(2-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-3-yl)methyl]-7,8-difluoro-1H-quinolin-2-one

4-[(2-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-3-yl)methyl]-7,8-difluoro-1H-quinolin-2-one (PubChem CID 25211596) has the molecular formula C21H18F2N4O2 and a molecular weight of 396.40 g/mol. Its IUPAC name is 4-[(2-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-3-yl)methyl]-7,8-difluoro-1H-quinolin-2-one.

Molecular Properties

Compound Name4-[(2-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-3-yl)methyl]-7,8-difluoro-1H-quinolin-2-one
PubChem CID25211596
Molecular FormulaC21H18F2N4O2
Molecular Weight396.40 g/mol
Exact Mass396.14
IUPAC Name4-[(2-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-3-yl)methyl]-7,8-difluoro-1H-quinolin-2-one
SMILESCOc1ccnc2c1nc(C1CCC1)n2Cc1cc(=O)[nH]c2c(F)c(F)ccc12
InChIInChI=1S/C21H18F2N4O2/c1-29-15-7-8-24-21-19(15)26-20(11-3-2-4-11)27(21)10-12-9-16(28)25-18-13(12)5-6-14(22)17(18)23/h5-9,11H,2-4,10H2,1H3,(H,25,28)
InChIKeyOBPMKZUKZANIQJ-UHFFFAOYSA-N
XLogP3.88
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-3-yl)methyl]-7,8-difluoro-1H-quinolin-2-one?
The IUPAC name of 4-[(2-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-3-yl)methyl]-7,8-difluoro-1H-quinolin-2-one (CID 25211596) is 4-[(2-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-3-yl)methyl]-7,8-difluoro-1H-quinolin-2-one.
What is the SMILES notation for 4-[(2-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-3-yl)methyl]-7,8-difluoro-1H-quinolin-2-one?
The canonical SMILES for 4-[(2-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-3-yl)methyl]-7,8-difluoro-1H-quinolin-2-one is COc1ccnc2c1nc(C1CCC1)n2Cc1cc(=O)[nH]c2c(F)c(F)ccc12.
What is the InChIKey of 4-[(2-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-3-yl)methyl]-7,8-difluoro-1H-quinolin-2-one?
The InChIKey is OBPMKZUKZANIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O2/c1-29-15-7-8-24-21-19(15)26-20(11-3-2-4-11)27(21)10-12-9-16(28)25-18-13(12)5-6-14(22)17(18)23/h5-9,11H,2-4,10H2,1H3,(H,25,28).
What are the key properties of 4-[(2-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-3-yl)methyl]-7,8-difluoro-1H-quinolin-2-one?
4-[(2-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-3-yl)methyl]-7,8-difluoro-1H-quinolin-2-one has a molecular weight of 396.40 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclobutyl-7-methoxyimidazo[4,5-b]pyridin-3-yl)methyl]-7,8-difluoro-1H-quinolin-2-one is sourced from PubChem (CID 25211596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).