1-phenyl-8-(tetrazolo[1,5-a]pyridine-6-carbonyl)-3-(5,5,5-trifluoro-2-oxopentyl)-1,3,8-triazaspiro[4.5]decan-4-one

C24H24F3N7O3 — CID 146977171

About 1-phenyl-8-(tetrazolo[1,5-a]pyridine-6-carbonyl)-3-(5,5,5-trifluoro-2-oxopentyl)-1,3,8-triazaspiro[4.5]decan-4-one

1-phenyl-8-(tetrazolo[1,5-a]pyridine-6-carbonyl)-3-(5,5,5-trifluoro-2-oxopentyl)-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 146977171) has the molecular formula C24H24F3N7O3 and a molecular weight of 515.50 g/mol. Its IUPAC name is 1-phenyl-8-(tetrazolo[1,5-a]pyridine-6-carbonyl)-3-(5,5,5-trifluoro-2-oxopentyl)-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

• Compound Name: 1-phenyl-8-(tetrazolo[1,5-a]pyridine-6-carbonyl)-3-(5,5,5-trifluoro-2-oxopentyl)-1,3,8-triazaspiro[4.5]decan-4-one
• PubChem CID: 146977171
• Molecular Formula: C24H24F3N7O3
• Molecular Weight: 515.50 g/mol
• Exact Mass: 515.19
• IUPAC Name: 1-phenyl-8-(tetrazolo[1,5-a]pyridine-6-carbonyl)-3-(5,5,5-trifluoro-2-oxopentyl)-1,3,8-triazaspiro[4.5]decan-4-one
• SMILES: O=C(CCC(F)(F)F)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc4nnnn4c3)CC2)C1=O
• InChI: InChI=1S/C24H24F3N7O3/c25-24(26,27)9-8-19(35)15-32-16-33(18-4-2-1-3-5-18)23(22(32)37)10-12-31(13-11-23)21(36)17-6-7-20-28-29-30-34(20)14-17/h1-7,14H,8-13,15-16H2
• InChIKey: ANOZNMXCJUPJPN-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 104.01 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.50
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-8-(tetrazolo[1,5-a]pyridine-6-carbonyl)-3-(5,5,5-trifluoro-2-oxopentyl)-1,3,8-triazaspiro[4.5]decan-4-one?

The IUPAC name of 1-phenyl-8-(tetrazolo[1,5-a]pyridine-6-carbonyl)-3-(5,5,5-trifluoro-2-oxopentyl)-1,3,8-triazaspiro[4.5]decan-4-one (CID 146977171) is 1-phenyl-8-(tetrazolo[1,5-a]pyridine-6-carbonyl)-3-(5,5,5-trifluoro-2-oxopentyl)-1,3,8-triazaspiro[4.5]decan-4-one.

What is the SMILES notation for 1-phenyl-8-(tetrazolo[1,5-a]pyridine-6-carbonyl)-3-(5,5,5-trifluoro-2-oxopentyl)-1,3,8-triazaspiro[4.5]decan-4-one?

The canonical SMILES for 1-phenyl-8-(tetrazolo[1,5-a]pyridine-6-carbonyl)-3-(5,5,5-trifluoro-2-oxopentyl)-1,3,8-triazaspiro[4.5]decan-4-one is O=C(CCC(F)(F)F)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc4nnnn4c3)CC2)C1=O.

What is the InChIKey of 1-phenyl-8-(tetrazolo[1,5-a]pyridine-6-carbonyl)-3-(5,5,5-trifluoro-2-oxopentyl)-1,3,8-triazaspiro[4.5]decan-4-one?

The InChIKey is ANOZNMXCJUPJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N7O3/c25-24(26,27)9-8-19(35)15-32-16-33(18-4-2-1-3-5-18)23(22(32)37)10-12-31(13-11-23)21(36)17-6-7-20-28-29-30-34(20)14-17/h1-7,14H,8-13,15-16H2.

What are the key properties of 1-phenyl-8-(tetrazolo[1,5-a]pyridine-6-carbonyl)-3-(5,5,5-trifluoro-2-oxopentyl)-1,3,8-triazaspiro[4.5]decan-4-one?

1-phenyl-8-(tetrazolo[1,5-a]pyridine-6-carbonyl)-3-(5,5,5-trifluoro-2-oxopentyl)-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 515.50 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-phenyl-8-(tetrazolo[1,5-a]pyridine-6-carbonyl)-3-(5,5,5-trifluoro-2-oxopentyl)-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 146977171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).