ethane;N-[5-[4-(1H-pyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-pyridin-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C64H61N17O3 — CID 143929892

About ethane;N-[5-[4-(1H-pyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-pyridin-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

ethane;N-[5-[4-(1H-pyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-pyridin-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 143929892) has the molecular formula C64H61N17O3 and a molecular weight of 1116.31 g/mol. Its IUPAC name is ethane;N-[5-[4-(1H-pyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-pyridin-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: ethane;N-[5-[4-(1H-pyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-pyridin-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
• PubChem CID: 143929892
• Molecular Formula: C64H61N17O3
• Molecular Weight: 1116.31 g/mol
• Exact Mass: 1115.51
• IUPAC Name: ethane;N-[5-[4-(1H-pyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-pyridin-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
• SMILES: CC.CC.O=C(Nc1nc2cccc(-c3ccc(-c4cccnc4)cc3)n2n1)C1CC1.O=C(Nc1nc2cccc(-c3ccc(-c4cccnc4)nc3)n2n1)C1CC1.O=C(Nc1nc2cccc(-c3ccc(-c4cn[nH]c4)cc3)n2n1)C1CC1
• InChI: InChI=1S/C21H17N5O.C20H16N6O.C19H16N6O.2C2H6/c27-20(16-10-11-16)24-21-23-19-5-1-4-18(26(19)25-21)15-8-6-14(7-9-15)17-3-2-12-22-13-17;27-19(13-6-7-13)24-20-23-18-5-1-4-17(26(18)25-20)15-8-9-16(22-12-15)14-3-2-10-21-11-14;26-18(14-8-9-14)23-19-22-17-3-1-2-16(25(17)24-19)13-6-4-12(5-7-13)15-10-20-21-11-15;2*1-2/h1-9,12-13,16H,10-11H2,(H,24,25,27);1-5,8-13H,6-7H2,(H,24,25,27);1-7,10-11,14H,8-9H2,(H,20,21)(H,23,24,26);2*1-2H3
• InChIKey: ODSYOJVAYUMIBB-UHFFFAOYSA-N
• XLogP: 12.20
• TPSA: 245.22 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1116.31
LogP ≤ 5	12.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of ethane;N-[5-[4-(1H-pyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-pyridin-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The IUPAC name of ethane;N-[5-[4-(1H-pyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-pyridin-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 143929892) is ethane;N-[5-[4-(1H-pyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-pyridin-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for ethane;N-[5-[4-(1H-pyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-pyridin-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The canonical SMILES for ethane;N-[5-[4-(1H-pyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-pyridin-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is CC.CC.O=C(Nc1nc2cccc(-c3ccc(-c4cccnc4)cc3)n2n1)C1CC1.O=C(Nc1nc2cccc(-c3ccc(-c4cccnc4)nc3)n2n1)C1CC1.O=C(Nc1nc2cccc(-c3ccc(-c4cn[nH]c4)cc3)n2n1)C1CC1.

What is the InChIKey of ethane;N-[5-[4-(1H-pyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-pyridin-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The InChIKey is ODSYOJVAYUMIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O.C20H16N6O.C19H16N6O.2C2H6/c27-20(16-10-11-16)24-21-23-19-5-1-4-18(26(19)25-21)15-8-6-14(7-9-15)17-3-2-12-22-13-17;27-19(13-6-7-13)24-20-23-18-5-1-4-17(26(18)25-20)15-8-9-16(22-12-15)14-3-2-10-21-11-14;26-18(14-8-9-14)23-19-22-17-3-1-2-16(25(17)24-19)13-6-4-12(5-7-13)15-10-20-21-11-15;2*1-2/h1-9,12-13,16H,10-11H2,(H,24,25,27);1-5,8-13H,6-7H2,(H,24,25,27);1-7,10-11,14H,8-9H2,(H,20,21)(H,23,24,26);2*1-2H3.

What are the key properties of ethane;N-[5-[4-(1H-pyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-pyridin-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

ethane;N-[5-[4-(1H-pyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-pyridin-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 1116.31 g/mol, XLogP of 12.20, 12 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-[5-[4-(1H-pyrazol-4-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(4-pyridin-3-ylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide;N-[5-(6-pyridin-3-yl-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 143929892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).