[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)methanone

C20H17N5O4 — CID 70798741

About [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)methanone

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)methanone (PubChem CID 70798741) has the molecular formula C20H17N5O4 and a molecular weight of 391.39 g/mol. Its IUPAC name is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)methanone.

Molecular Properties

• Compound Name: [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)methanone
• PubChem CID: 70798741
• Molecular Formula: C20H17N5O4
• Molecular Weight: 391.39 g/mol
• Exact Mass: 391.13
• IUPAC Name: [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)methanone
• SMILES: Nc1nc2cc(-c3ccc4ncc(C(=O)N5CC6(C5)OCCO6)n4c3)ccc2o1
• InChI: InChI=1S/C20H17N5O4/c21-19-23-14-7-12(1-3-16(14)29-19)13-2-4-17-22-8-15(25(17)9-13)18(26)24-10-20(11-24)27-5-6-28-20/h1-4,7-9H,5-6,10-11H2,(H2,21,23)
• InChIKey: SPMUQTROVOONFM-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 108.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.39
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)methanone?

The IUPAC name of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)methanone (CID 70798741) is [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)methanone.

What is the SMILES notation for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)methanone?

The canonical SMILES for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)methanone is Nc1nc2cc(-c3ccc4ncc(C(=O)N5CC6(C5)OCCO6)n4c3)ccc2o1.

What is the InChIKey of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)methanone?

The InChIKey is SPMUQTROVOONFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4/c21-19-23-14-7-12(1-3-16(14)29-19)13-2-4-17-22-8-15(25(17)9-13)18(26)24-10-20(11-24)27-5-6-28-20/h1-4,7-9H,5-6,10-11H2,(H2,21,23).

What are the key properties of [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)methanone?

[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)methanone has a molecular weight of 391.39 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-(5,8-dioxa-2-azaspiro[3.4]octan-2-yl)methanone is sourced from PubChem (CID 70798741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).