N-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C₄₁H₃₇N₉O₃S — CID 159520043

About N-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 159520043) has the molecular formula C₄₁H₃₇N₉O₃S and a molecular weight of 735.87 g/mol. Its IUPAC name is N-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
• PubChem CID: 159520043
• Molecular Formula: C₄₁H₃₇N₉O₃S
• Molecular Weight: 735.87 g/mol
• Exact Mass: 735.27
• IUPAC Name: N-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
• SMILES: O=C(Nc1nc2cccc(-c3ccc(-c4cccs4)cc3)n2n1)C1CC1.O=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCCC4)cc3)n2n1)C1CC1
• InChI: InChI=1S/C21H21N5O2.C20H16N4OS/c27-19(15-8-9-15)23-21-22-18-5-3-4-17(26(18)24-21)14-6-10-16(11-7-14)20(28)25-12-1-2-13-25;25-19(15-10-11-15)22-20-21-18-5-1-3-16(24(18)23-20)13-6-8-14(9-7-13)17-4-2-12-26-17/h3-7,10-11,15H,1-2,8-9,12-13H2,(H,23,24,27);1-9,12,15H,10-11H2,(H,22,23,25)
• InChIKey: MBRRHYSGZICZIX-UHFFFAOYSA-N
• XLogP: 7.45
• TPSA: 138.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	735.87
LogP ≤ 5	7.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The IUPAC name of N-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 159520043) is N-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3ccc(-c4cccs4)cc3)n2n1)C1CC1.O=C(Nc1nc2cccc(-c3ccc(C(=O)N4CCCC4)cc3)n2n1)C1CC1.

What is the InChIKey of N-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The InChIKey is MBRRHYSGZICZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2.C20H16N4OS/c27-19(15-8-9-15)23-21-22-18-5-3-4-17(26(18)24-21)14-6-10-16(11-7-14)20(28)25-12-1-2-13-25;25-19(15-10-11-15)22-20-21-18-5-1-3-16(24(18)23-20)13-6-8-14(9-7-13)17-4-2-12-26-17/h3-7,10-11,15H,1-2,8-9,12-13H2,(H,23,24,27);1-9,12,15H,10-11H2,(H,22,23,25).

What are the key properties of N-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

N-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 735.87 g/mol, XLogP of 7.45, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-(pyrrolidine-1-carbonyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-thiophen-2-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 159520043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159520043 — identifiers, structure, computed properties (public domain)

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