(2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid

C17H22N4O3 — CID 67405935

IUPAC(2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](C(=O)O)N1CCN(Cc2ncc3ccccn23)C1=O
InChIInChI=1S/C17H22N4O3/c1-17(2,3)14(15(22)23)21-9-8-19(16(21)24)11-13-18-10-12-6-4-5-7-20(12)13/h4-7,10,14H,8-9,11H2,1-3H3,(H,22,23)/t14-/m1/s1
InChIKeyKZLSXRNESMKJAE-CQSZACIVSA-N
MW330.39 g/mol
LogP2.07
Rot. Bonds4

About (2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid

(2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid (PubChem CID 67405935) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is (2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid
PubChem CID67405935
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC Name(2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid
SMILESCC(C)(C)[C@@H](C(=O)O)N1CCN(Cc2ncc3ccccn23)C1=O
InChIInChI=1S/C17H22N4O3/c1-17(2,3)14(15(22)23)21-9-8-19(16(21)24)11-13-18-10-12-6-4-5-7-20(12)13/h4-7,10,14H,8-9,11H2,1-3H3,(H,22,23)/t14-/m1/s1
InChIKeyKZLSXRNESMKJAE-CQSZACIVSA-N
XLogP2.07
TPSA78.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid?
The IUPAC name of (2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid (CID 67405935) is (2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid.
What is the SMILES notation for (2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid?
The canonical SMILES for (2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid is CC(C)(C)[C@@H](C(=O)O)N1CCN(Cc2ncc3ccccn23)C1=O.
What is the InChIKey of (2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid?
The InChIKey is KZLSXRNESMKJAE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-17(2,3)14(15(22)23)21-9-8-19(16(21)24)11-13-18-10-12-6-4-5-7-20(12)13/h4-7,10,14H,8-9,11H2,1-3H3,(H,22,23)/t14-/m1/s1.
What are the key properties of (2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid?
(2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid has a molecular weight of 330.39 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-(imidazo[1,5-a]pyridin-3-ylmethyl)-2-oxoimidazolidin-1-yl]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 67405935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).