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

C21H23N5O2 — CID 57405958

IUPAC1-cyclopropyl-3-[[1-(4-hydroxybutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2cc3cnccc3n2CCCCO)c2cnccc2n1C1CC1
InChIInChI=1S/C21H23N5O2/c27-10-2-1-9-24-17(11-15-12-22-7-5-18(15)24)14-25-20-13-23-8-6-19(20)26(21(25)28)16-3-4-16/h5-8,11-13,16,27H,1-4,9-10,14H2
InChIKeySWHVCEUPNYMLGC-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.70
Rot. Bonds7

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

1-cyclopropyl-3-[[1-(4-hydroxybutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 57405958) 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-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[1-(4-hydroxybutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID57405958
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name1-cyclopropyl-3-[[1-(4-hydroxybutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2cc3cnccc3n2CCCCO)c2cnccc2n1C1CC1
InChIInChI=1S/C21H23N5O2/c27-10-2-1-9-24-17(11-15-12-22-7-5-18(15)24)14-25-20-13-23-8-6-19(20)26(21(25)28)16-3-4-16/h5-8,11-13,16,27H,1-4,9-10,14H2
InChIKeySWHVCEUPNYMLGC-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-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-[[1-(4-hydroxybutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 57405958) is 1-cyclopropyl-3-[[1-(4-hydroxybutyl)pyrrolo[3,2-c]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-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[1-(4-hydroxybutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is O=c1n(Cc2cc3cnccc3n2CCCCO)c2cnccc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[[1-(4-hydroxybutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is SWHVCEUPNYMLGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-10-2-1-9-24-17(11-15-12-22-7-5-18(15)24)14-25-20-13-23-8-6-19(20)26(21(25)28)16-3-4-16/h5-8,11-13,16,27H,1-4,9-10,14H2.
What are the key properties of 1-cyclopropyl-3-[[1-(4-hydroxybutyl)pyrrolo[3,2-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
1-cyclopropyl-3-[[1-(4-hydroxybutyl)pyrrolo[3,2-c]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-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 57405958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).