2-[1-(cyclopropylmethyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-5-fluorobenzonitrile

C18H15FN4O — CID 54760489

IUPAC2-[1-(cyclopropylmethyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-5-fluorobenzonitrile
SMILESCn1c(=O)n(CC2CC2)c2ccc(-c3ccc(F)cc3C#N)nc21
InChIInChI=1S/C18H15FN4O/c1-22-17-16(23(18(22)24)10-11-2-3-11)7-6-15(21-17)14-5-4-13(19)8-12(14)9-20/h4-8,11H,2-3,10H2,1H3
InChIKeyXLTHTTIMZLCAJH-UHFFFAOYSA-N
MW322.34 g/mol
LogP2.82
Rot. Bonds3

About 2-[1-(cyclopropylmethyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-5-fluorobenzonitrile

2-[1-(cyclopropylmethyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-5-fluorobenzonitrile (PubChem CID 54760489) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 2-[1-(cyclopropylmethyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-[1-(cyclopropylmethyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-5-fluorobenzonitrile
PubChem CID54760489
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name2-[1-(cyclopropylmethyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-5-fluorobenzonitrile
SMILESCn1c(=O)n(CC2CC2)c2ccc(-c3ccc(F)cc3C#N)nc21
InChIInChI=1S/C18H15FN4O/c1-22-17-16(23(18(22)24)10-11-2-3-11)7-6-15(21-17)14-5-4-13(19)8-12(14)9-20/h4-8,11H,2-3,10H2,1H3
InChIKeyXLTHTTIMZLCAJH-UHFFFAOYSA-N
XLogP2.82
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopropylmethyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-5-fluorobenzonitrile?
The IUPAC name of 2-[1-(cyclopropylmethyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-5-fluorobenzonitrile (CID 54760489) is 2-[1-(cyclopropylmethyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-5-fluorobenzonitrile.
What is the SMILES notation for 2-[1-(cyclopropylmethyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-5-fluorobenzonitrile?
The canonical SMILES for 2-[1-(cyclopropylmethyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-5-fluorobenzonitrile is Cn1c(=O)n(CC2CC2)c2ccc(-c3ccc(F)cc3C#N)nc21.
What is the InChIKey of 2-[1-(cyclopropylmethyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-5-fluorobenzonitrile?
The InChIKey is XLTHTTIMZLCAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-22-17-16(23(18(22)24)10-11-2-3-11)7-6-15(21-17)14-5-4-13(19)8-12(14)9-20/h4-8,11H,2-3,10H2,1H3.
What are the key properties of 2-[1-(cyclopropylmethyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-5-fluorobenzonitrile?
2-[1-(cyclopropylmethyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-5-fluorobenzonitrile has a molecular weight of 322.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopropylmethyl)-3-methyl-2-oxoimidazo[4,5-b]pyridin-5-yl]-5-fluorobenzonitrile is sourced from PubChem (CID 54760489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).