5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[6-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one

C31H36N6O3 — CID 168970995

About 5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[6-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one

5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[6-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one (PubChem CID 168970995) has the molecular formula C31H36N6O3 and a molecular weight of 540.67 g/mol. Its IUPAC name is 5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[6-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one.

Molecular Properties

• Compound Name: 5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[6-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one
• PubChem CID: 168970995
• Molecular Formula: C31H36N6O3
• Molecular Weight: 540.67 g/mol
• Exact Mass: 540.28
• IUPAC Name: 5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[6-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one
• SMILES: O=c1c2cncc(N3CC4(CCOCC4)C3)c2ccn1Cc1cn2cc(CN3CCC4(CCOC4)C3)ccc2n1
• InChI: InChI=1S/C31H36N6O3/c38-29-26-13-32-14-27(37-20-30(21-37)5-10-39-11-6-30)25(26)3-8-35(29)17-24-18-36-16-23(1-2-28(36)33-24)15-34-9-4-31(19-34)7-12-40-22-31/h1-3,8,13-14,16,18H,4-7,9-12,15,17,19-22H2
• InChIKey: SBLITQIFURVGSK-UHFFFAOYSA-N
• XLogP: 3.32
• TPSA: 77.13 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.67
LogP ≤ 5	3.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[6-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one?

The IUPAC name of 5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[6-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one (CID 168970995) is 5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[6-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one.

What is the SMILES notation for 5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[6-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one?

The canonical SMILES for 5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[6-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one is O=c1c2cncc(N3CC4(CCOCC4)C3)c2ccn1Cc1cn2cc(CN3CCC4(CCOC4)C3)ccc2n1.

What is the InChIKey of 5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[6-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one?

The InChIKey is SBLITQIFURVGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N6O3/c38-29-26-13-32-14-27(37-20-30(21-37)5-10-39-11-6-30)25(26)3-8-35(29)17-24-18-36-16-23(1-2-28(36)33-24)15-34-9-4-31(19-34)7-12-40-22-31/h1-3,8,13-14,16,18H,4-7,9-12,15,17,19-22H2.

What are the key properties of 5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[6-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one?

5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[6-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one has a molecular weight of 540.67 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(7-oxa-2-azaspiro[3.5]nonan-2-yl)-2-[[6-(2-oxa-7-azaspiro[4.4]nonan-7-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one is sourced from PubChem (CID 168970995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).