(3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone

C22H27N5O2 — CID 164628420

IUPAC(3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
SMILESCC(C)c1nc([C@@H]2CCCCCN2C(=O)c2nc(C3CC3)n3ccccc23)no1
InChIInChI=1S/C22H27N5O2/c1-14(2)21-24-19(25-29-21)17-9-4-3-6-13-27(17)22(28)18-16-8-5-7-12-26(16)20(23-18)15-10-11-15/h5,7-8,12,14-15,17H,3-4,6,9-11,13H2,1-2H3/t17-/m0/s1
InChIKeyNNIQZCPTHAALJT-KRWDZBQOSA-N
MW393.49 g/mol
LogP4.48
Rot. Bonds4

About (3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone

(3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone (PubChem CID 164628420) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is (3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
PubChem CID164628420
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name(3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
SMILESCC(C)c1nc([C@@H]2CCCCCN2C(=O)c2nc(C3CC3)n3ccccc23)no1
InChIInChI=1S/C22H27N5O2/c1-14(2)21-24-19(25-29-21)17-9-4-3-6-13-27(17)22(28)18-16-8-5-7-12-26(16)20(23-18)15-10-11-15/h5,7-8,12,14-15,17H,3-4,6,9-11,13H2,1-2H3/t17-/m0/s1
InChIKeyNNIQZCPTHAALJT-KRWDZBQOSA-N
XLogP4.48
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-2-ylmethanone
CID 97345487
[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]-pyridin-3-ylmethanone
CID 75475057
[(2S)-2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(3-methylimidazo[1,5-a]pyridin-1-yl)methanone
CID 95779824
(2-fluoro-4-pyridinyl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 97345492
2-indol-1-yl-1-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95779588
N-cyclohexyl-1-(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)pyrrolidine-2-carboxamide
CID 110625664
[5-(methoxymethyl)furan-2-yl]-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 97345500
1H-imidazol-5-yl-[(2R)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 95779553
(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone
CID 97345489
(3-cyclohexylimidazo[1,5-a]pyridin-1-yl)-(3,5-dimethylmorpholin-4-yl)methanone
CID 110631205
3-cyclopropyl-N-(2-oxo-2-piperidin-1-ylethyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110633499
1-cyclopropyl-5-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]pentane-1,5-dione
CID 166235513

Frequently Asked Questions

What is the IUPAC name of (3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
The IUPAC name of (3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone (CID 164628420) is (3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone.
What is the SMILES notation for (3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
The canonical SMILES for (3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone is CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2nc(C3CC3)n3ccccc23)no1.
What is the InChIKey of (3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
The InChIKey is NNIQZCPTHAALJT-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-14(2)21-24-19(25-29-21)17-9-4-3-6-13-27(17)22(28)18-16-8-5-7-12-26(16)20(23-18)15-10-11-15/h5,7-8,12,14-15,17H,3-4,6,9-11,13H2,1-2H3/t17-/m0/s1.
What are the key properties of (3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone?
(3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone has a molecular weight of 393.49 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropylimidazo[1,5-a]pyridin-1-yl)-[(2S)-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)azepan-1-yl]methanone is sourced from PubChem (CID 164628420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).