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

C22H25N5O — CID 57406132

IUPAC1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)cc2ncccc21
InChIInChI=1S/C22H25N5O/c1-15(2)8-11-25-17(12-18-19(25)4-3-9-24-18)14-26-21-13-23-10-7-20(21)27(22(26)28)16-5-6-16/h3-4,7,9-10,12-13,15-16H,5-6,8,11,14H2,1-2H3
InChIKeyKUZIQRLEFFHRLA-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.98
Rot. Bonds6

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

1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 57406132) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID57406132
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)cc2ncccc21
InChIInChI=1S/C22H25N5O/c1-15(2)8-11-25-17(12-18-19(25)4-3-9-24-18)14-26-21-13-23-10-7-20(21)27(22(26)28)16-5-6-16/h3-4,7,9-10,12-13,15-16H,5-6,8,11,14H2,1-2H3
InChIKeyKUZIQRLEFFHRLA-UHFFFAOYSA-N
XLogP3.98
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 57406132) is 1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is CC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)cc2ncccc21.
What is the InChIKey of 1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is KUZIQRLEFFHRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-15(2)8-11-25-17(12-18-19(25)4-3-9-24-18)14-26-21-13-23-10-7-20(21)27(22(26)28)16-5-6-16/h3-4,7,9-10,12-13,15-16H,5-6,8,11,14H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 375.48 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[1-(3-methylbutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 57406132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).