3-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide

C17H21N3O2 — CID 57453264

IUPAC3-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NCC1(CO)CCC1)c1nc(C2CC2)n2ccccc12
InChIInChI=1S/C17H21N3O2/c21-11-17(7-3-8-17)10-18-16(22)14-13-4-1-2-9-20(13)15(19-14)12-5-6-12/h1-2,4,9,12,21H,3,5-8,10-11H2,(H,18,22)
InChIKeyJIWMLWFTEQUNLP-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.10
Rot. Bonds5

About 3-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide

3-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 57453264) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID57453264
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
SMILESO=C(NCC1(CO)CCC1)c1nc(C2CC2)n2ccccc12
InChIInChI=1S/C17H21N3O2/c21-11-17(7-3-8-17)10-18-16(22)14-13-4-1-2-9-20(13)15(19-14)12-5-6-12/h1-2,4,9,12,21H,3,5-8,10-11H2,(H,18,22)
InChIKeyJIWMLWFTEQUNLP-UHFFFAOYSA-N
XLogP2.10
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide (CID 57453264) is 3-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide is O=C(NCC1(CO)CCC1)c1nc(C2CC2)n2ccccc12.
What is the InChIKey of 3-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is JIWMLWFTEQUNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-11-17(7-3-8-17)10-18-16(22)14-13-4-1-2-9-20(13)15(19-14)12-5-6-12/h1-2,4,9,12,21H,3,5-8,10-11H2,(H,18,22).
What are the key properties of 3-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide?
3-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-[[1-(hydroxymethyl)cyclobutyl]methyl]imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 57453264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).