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

C23H26N4O — CID 57405394

IUPAC1-cyclopropyl-3-[[1-(3-methylbutyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)cc2ccccc21
InChIInChI=1S/C23H26N4O/c1-16(2)10-12-25-19(13-17-5-3-4-6-20(17)25)15-26-22-14-24-11-9-21(22)27(23(26)28)18-7-8-18/h3-6,9,11,13-14,16,18H,7-8,10,12,15H2,1-2H3
InChIKeyZRGISGYPZJCFJD-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.58
Rot. Bonds6

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

1-cyclopropyl-3-[[1-(3-methylbutyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (PubChem CID 57405394) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-cyclopropyl-3-[[1-(3-methylbutyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[[1-(3-methylbutyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
PubChem CID57405394
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name1-cyclopropyl-3-[[1-(3-methylbutyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
SMILESCC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)cc2ccccc21
InChIInChI=1S/C23H26N4O/c1-16(2)10-12-25-19(13-17-5-3-4-6-20(17)25)15-26-22-14-24-11-9-21(22)27(23(26)28)18-7-8-18/h3-6,9,11,13-14,16,18H,7-8,10,12,15H2,1-2H3
InChIKeyZRGISGYPZJCFJD-UHFFFAOYSA-N
XLogP4.58
TPSA44.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[[1-(3-methylbutyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 1-cyclopropyl-3-[[1-(3-methylbutyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one (CID 57405394) is 1-cyclopropyl-3-[[1-(3-methylbutyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[[1-(3-methylbutyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[[1-(3-methylbutyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is CC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)cc2ccccc21.
What is the InChIKey of 1-cyclopropyl-3-[[1-(3-methylbutyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
The InChIKey is ZRGISGYPZJCFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-16(2)10-12-25-19(13-17-5-3-4-6-20(17)25)15-26-22-14-24-11-9-21(22)27(23(26)28)18-7-8-18/h3-6,9,11,13-14,16,18H,7-8,10,12,15H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-[[1-(3-methylbutyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one?
1-cyclopropyl-3-[[1-(3-methylbutyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one has a molecular weight of 374.49 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[[1-(3-methylbutyl)indol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 57405394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).