1-cyclopropyl-3-[[1-(3-methylbutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

C21H24N6O — CID 67991843

IUPAC1-cyclopropyl-3-[[1-(3-methylbutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cnccc21
InChIInChI=1S/C21H24N6O/c1-14(2)7-10-25-17-5-8-22-11-16(17)24-20(25)13-26-19-12-23-9-6-18(19)27(21(26)28)15-3-4-15/h5-6,8-9,11-12,14-15H,3-4,7,10,13H2,1-2H3
InChIKeyCIGAJYDXZXNWFE-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.37
Rot. Bonds6

About 1-cyclopropyl-3-[[1-(3-methylbutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one

1-cyclopropyl-3-[[1-(3-methylbutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 67991843) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[1-(3-methylbutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[1-(3-methylbutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID67991843
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name1-cyclopropyl-3-[[1-(3-methylbutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cnccc21
InChIInChI=1S/C21H24N6O/c1-14(2)7-10-25-17-5-8-22-11-16(17)24-20(25)13-26-19-12-23-9-6-18(19)27(21(26)28)15-3-4-15/h5-6,8-9,11-12,14-15H,3-4,7,10,13H2,1-2H3
InChIKeyCIGAJYDXZXNWFE-UHFFFAOYSA-N
XLogP3.37
TPSA70.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[1-(3-methylbutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-[[1-(3-methylbutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 67991843) is 1-cyclopropyl-3-[[1-(3-methylbutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[[1-(3-methylbutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[1-(3-methylbutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is CC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cnccc21.
What is the InChIKey of 1-cyclopropyl-3-[[1-(3-methylbutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is CIGAJYDXZXNWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-14(2)7-10-25-17-5-8-22-11-16(17)24-20(25)13-26-19-12-23-9-6-18(19)27(21(26)28)15-3-4-15/h5-6,8-9,11-12,14-15H,3-4,7,10,13H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-[[1-(3-methylbutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
1-cyclopropyl-3-[[1-(3-methylbutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 376.46 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[1-(3-methylbutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 67991843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).