[(3S)-3-hydroxypyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone

C20H18N4O3 — CID 118241077

About [(3S)-3-hydroxypyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone

[(3S)-3-hydroxypyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone (PubChem CID 118241077) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is [(3S)-3-hydroxypyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone.

Molecular Properties

• Compound Name: [(3S)-3-hydroxypyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
• PubChem CID: 118241077
• Molecular Formula: C20H18N4O3
• Molecular Weight: 362.39 g/mol
• Exact Mass: 362.14
• IUPAC Name: [(3S)-3-hydroxypyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone
• SMILES: Cc1nc2cc(-c3ccc4ncc(C(=O)N5CC[C@H](O)C5)n4c3)ccc2o1
• InChI: InChI=1S/C20H18N4O3/c1-12-22-16-8-13(2-4-18(16)27-12)14-3-5-19-21-9-17(24(19)10-14)20(26)23-7-6-15(25)11-23/h2-5,8-10,15,25H,6-7,11H2,1H3/t15-/m0/s1
• InChIKey: SSPHVRHGNZMGQA-HNNXBMFYSA-N
• XLogP: 2.66
• TPSA: 83.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	362.39
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone?

The IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone (CID 118241077) is [(3S)-3-hydroxypyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone.

What is the SMILES notation for [(3S)-3-hydroxypyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone?

The canonical SMILES for [(3S)-3-hydroxypyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone is Cc1nc2cc(-c3ccc4ncc(C(=O)N5CC[C@H](O)C5)n4c3)ccc2o1.

What is the InChIKey of [(3S)-3-hydroxypyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone?

The InChIKey is SSPHVRHGNZMGQA-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-12-22-16-8-13(2-4-18(16)27-12)14-3-5-19-21-9-17(24(19)10-14)20(26)23-7-6-15(25)11-23/h2-5,8-10,15,25H,6-7,11H2,1H3/t15-/m0/s1.

What are the key properties of [(3S)-3-hydroxypyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone?

[(3S)-3-hydroxypyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone has a molecular weight of 362.39 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(3S)-3-hydroxypyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone is sourced from PubChem (CID 118241077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).