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

C21H23N5O2 — CID 57406134

IUPAC1-cyclopropyl-3-[[1-(4-hydroxybutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2cc3ncccc3n2CCCCO)c2cnccc2n1C1CC1
InChIInChI=1S/C21H23N5O2/c27-11-2-1-10-24-16(12-17-18(24)4-3-8-23-17)14-25-20-13-22-9-7-19(20)26(21(25)28)15-5-6-15/h3-4,7-9,12-13,15,27H,1-2,5-6,10-11,14H2
InChIKeyGKOCOWNFKVMRLS-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.70
Rot. Bonds7

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

1-cyclopropyl-3-[[1-(4-hydroxybutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 57406134) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[1-(4-hydroxybutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[1-(4-hydroxybutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID57406134
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name1-cyclopropyl-3-[[1-(4-hydroxybutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2cc3ncccc3n2CCCCO)c2cnccc2n1C1CC1
InChIInChI=1S/C21H23N5O2/c27-11-2-1-10-24-16(12-17-18(24)4-3-8-23-17)14-25-20-13-22-9-7-19(20)26(21(25)28)15-5-6-15/h3-4,7-9,12-13,15,27H,1-2,5-6,10-11,14H2
InChIKeyGKOCOWNFKVMRLS-UHFFFAOYSA-N
XLogP2.70
TPSA77.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[1-(4-hydroxybutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-[[1-(4-hydroxybutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 57406134) is 1-cyclopropyl-3-[[1-(4-hydroxybutyl)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-(4-hydroxybutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[1-(4-hydroxybutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is O=c1n(Cc2cc3ncccc3n2CCCCO)c2cnccc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[[1-(4-hydroxybutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is GKOCOWNFKVMRLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-11-2-1-10-24-16(12-17-18(24)4-3-8-23-17)14-25-20-13-22-9-7-19(20)26(21(25)28)15-5-6-15/h3-4,7-9,12-13,15,27H,1-2,5-6,10-11,14H2.
What are the key properties of 1-cyclopropyl-3-[[1-(4-hydroxybutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
1-cyclopropyl-3-[[1-(4-hydroxybutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 377.45 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[1-(4-hydroxybutyl)pyrrolo[3,2-b]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 57406134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).