1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2R)-2-(methoxymethyl)cyclopentyl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone

C₆₀H₆₇N₁₅O₅ — CID 160986713

About 1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2R)-2-(methoxymethyl)cyclopentyl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone

1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2R)-2-(methoxymethyl)cyclopentyl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone (PubChem CID 160986713) has the molecular formula C₆₀H₆₇N₁₅O₅ and a molecular weight of 1078.30 g/mol. Its IUPAC name is 1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2R)-2-(methoxymethyl)cyclopentyl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

• Compound Name: 1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2R)-2-(methoxymethyl)cyclopentyl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone
• PubChem CID: 160986713
• Molecular Formula: C₆₀H₆₇N₁₅O₅
• Molecular Weight: 1078.30 g/mol
• Exact Mass: 1077.54
• IUPAC Name: 1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2R)-2-(methoxymethyl)cyclopentyl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone
• SMILES: CCN(CC)C(=O)C1CCCN(C(=O)c2cc(N)c3nc(-c4ccccc4)nn3c2)C1.COC[C@@H]1CCCC1C(=O)c1cc(N)c2nc(-c3ccccc3)nn2c1.Nc1cc(C(=O)N2CCCC2)cn2nc(-c3ccccc3)nc12
• InChI: InChI=1S/C23H28N6O2.C20H22N4O2.C17H17N5O/c1-3-27(4-2)22(30)17-11-8-12-28(14-17)23(31)18-13-19(24)21-25-20(26-29(21)15-18)16-9-6-5-7-10-16;1-26-12-14-8-5-9-16(14)18(25)15-10-17(21)20-22-19(23-24(20)11-15)13-6-3-2-4-7-13;18-14-10-13(17(23)21-8-4-5-9-21)11-22-16(14)19-15(20-22)12-6-2-1-3-7-12/h5-7,9-10,13,15,17H,3-4,8,11-12,14,24H2,1-2H3;2-4,6-7,10-11,14,16H,5,8-9,12,21H2,1H3;1-3,6-7,10-11H,4-5,8-9,18H2/t;14-,16?;/m.0./s1
• InChIKey: TUBOOXAAOAXQJL-QROJJIAPSA-N
• XLogP: 8.14
• TPSA: 255.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 12
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1078.30
LogP ≤ 5	8.14
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2R)-2-(methoxymethyl)cyclopentyl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone?

The IUPAC name of 1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2R)-2-(methoxymethyl)cyclopentyl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone (CID 160986713) is 1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2R)-2-(methoxymethyl)cyclopentyl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone.

What is the SMILES notation for 1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2R)-2-(methoxymethyl)cyclopentyl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone?

The canonical SMILES for 1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2R)-2-(methoxymethyl)cyclopentyl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone is CCN(CC)C(=O)C1CCCN(C(=O)c2cc(N)c3nc(-c4ccccc4)nn3c2)C1.COC[C@@H]1CCCC1C(=O)c1cc(N)c2nc(-c3ccccc3)nn2c1.Nc1cc(C(=O)N2CCCC2)cn2nc(-c3ccccc3)nc12.

What is the InChIKey of 1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2R)-2-(methoxymethyl)cyclopentyl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone?

The InChIKey is TUBOOXAAOAXQJL-QROJJIAPSA-N. The full InChI is InChI=1S/C23H28N6O2.C20H22N4O2.C17H17N5O/c1-3-27(4-2)22(30)17-11-8-12-28(14-17)23(31)18-13-19(24)21-25-20(26-29(21)15-18)16-9-6-5-7-10-16;1-26-12-14-8-5-9-16(14)18(25)15-10-17(21)20-22-19(23-24(20)11-15)13-6-3-2-4-7-13;18-14-10-13(17(23)21-8-4-5-9-21)11-22-16(14)19-15(20-22)12-6-2-1-3-7-12/h5-7,9-10,13,15,17H,3-4,8,11-12,14,24H2,1-2H3;2-4,6-7,10-11,14,16H,5,8-9,12,21H2,1H3;1-3,6-7,10-11H,4-5,8-9,18H2/t;14-,16?;/m.0./s1.

What are the key properties of 1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2R)-2-(methoxymethyl)cyclopentyl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone?

1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2R)-2-(methoxymethyl)cyclopentyl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 1078.30 g/mol, XLogP of 8.14, 12 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-6-carbonyl)-N,N-diethylpiperidine-3-carboxamide;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-[(2R)-2-(methoxymethyl)cyclopentyl]methanone;(8-amino-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 160986713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 160986713 — identifiers, structure, computed properties (public domain)

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