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

C20H22N6O2 — CID 67991775

IUPAC1-cyclopropyl-3-[[1-(4-hydroxybutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc3cnccc3n2CCCCO)c2cnccc2n1C1CC1
InChIInChI=1S/C20H22N6O2/c27-10-2-1-9-24-16-5-7-21-11-15(16)23-19(24)13-25-18-12-22-8-6-17(18)26(20(25)28)14-3-4-14/h5-8,11-12,14,27H,1-4,9-10,13H2
InChIKeyGZEAVYLQNNPLHG-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.10
Rot. Bonds7

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

1-cyclopropyl-3-[[1-(4-hydroxybutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 67991775) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[1-(4-hydroxybutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[1-(4-hydroxybutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID67991775
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name1-cyclopropyl-3-[[1-(4-hydroxybutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESO=c1n(Cc2nc3cnccc3n2CCCCO)c2cnccc2n1C1CC1
InChIInChI=1S/C20H22N6O2/c27-10-2-1-9-24-16-5-7-21-11-15(16)23-19(24)13-25-18-12-22-8-6-17(18)26(20(25)28)14-3-4-14/h5-8,11-12,14,27H,1-4,9-10,13H2
InChIKeyGZEAVYLQNNPLHG-UHFFFAOYSA-N
XLogP2.10
TPSA90.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-[[1-(4-hydroxybutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 67991775) is 1-cyclopropyl-3-[[1-(4-hydroxybutyl)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-(4-hydroxybutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[1-(4-hydroxybutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is O=c1n(Cc2nc3cnccc3n2CCCCO)c2cnccc2n1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[[1-(4-hydroxybutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is GZEAVYLQNNPLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c27-10-2-1-9-24-16-5-7-21-11-15(16)23-19(24)13-25-18-12-22-8-6-17(18)26(20(25)28)14-3-4-14/h5-8,11-12,14,27H,1-4,9-10,13H2.
What are the key properties of 1-cyclopropyl-3-[[1-(4-hydroxybutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
1-cyclopropyl-3-[[1-(4-hydroxybutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 378.44 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[1-(4-hydroxybutyl)imidazo[4,5-c]pyridin-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 67991775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).