5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-N-[2-(4-methylphenyl)butan-2-yl]indole-3-carboxamide

C31H32N6O2 — CID 170012281

About 5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-N-[2-(4-methylphenyl)butan-2-yl]indole-3-carboxamide

5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-N-[2-(4-methylphenyl)butan-2-yl]indole-3-carboxamide (PubChem CID 170012281) has the molecular formula C31H32N6O2 and a molecular weight of 520.64 g/mol. Its IUPAC name is 5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-N-[2-(4-methylphenyl)butan-2-yl]indole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-N-[2-(4-methylphenyl)butan-2-yl]indole-3-carboxamide
• PubChem CID: 170012281
• Molecular Formula: C31H32N6O2
• Molecular Weight: 520.64 g/mol
• Exact Mass: 520.26
• IUPAC Name: 5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-N-[2-(4-methylphenyl)butan-2-yl]indole-3-carboxamide
• SMILES: CCC(C)(NC(=O)c1cn(C)c2ccc(-c3ccn4nc(NC(=O)C5CC5)nc4c3)cc12)c1ccc(C)cc1
• InChI: InChI=1S/C31H32N6O2/c1-5-31(3,23-11-6-19(2)7-12-23)34-29(39)25-18-36(4)26-13-10-21(16-24(25)26)22-14-15-37-27(17-22)32-30(35-37)33-28(38)20-8-9-20/h6-7,10-18,20H,5,8-9H2,1-4H3,(H,34,39)(H,33,35,38)
• InChIKey: FJKNVNGMINFWDN-UHFFFAOYSA-N
• XLogP: 5.60
• TPSA: 93.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	520.64
LogP ≤ 5	5.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-N-[2-(4-methylphenyl)butan-2-yl]indole-3-carboxamide?

The IUPAC name of 5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-N-[2-(4-methylphenyl)butan-2-yl]indole-3-carboxamide (CID 170012281) is 5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-N-[2-(4-methylphenyl)butan-2-yl]indole-3-carboxamide.

What is the SMILES notation for 5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-N-[2-(4-methylphenyl)butan-2-yl]indole-3-carboxamide?

The canonical SMILES for 5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-N-[2-(4-methylphenyl)butan-2-yl]indole-3-carboxamide is CCC(C)(NC(=O)c1cn(C)c2ccc(-c3ccn4nc(NC(=O)C5CC5)nc4c3)cc12)c1ccc(C)cc1.

What is the InChIKey of 5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-N-[2-(4-methylphenyl)butan-2-yl]indole-3-carboxamide?

The InChIKey is FJKNVNGMINFWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N6O2/c1-5-31(3,23-11-6-19(2)7-12-23)34-29(39)25-18-36(4)26-13-10-21(16-24(25)26)22-14-15-37-27(17-22)32-30(35-37)33-28(38)20-8-9-20/h6-7,10-18,20H,5,8-9H2,1-4H3,(H,34,39)(H,33,35,38).

What are the key properties of 5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-N-[2-(4-methylphenyl)butan-2-yl]indole-3-carboxamide?

5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-N-[2-(4-methylphenyl)butan-2-yl]indole-3-carboxamide has a molecular weight of 520.64 g/mol, XLogP of 5.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-N-[2-(4-methylphenyl)butan-2-yl]indole-3-carboxamide is sourced from PubChem (CID 170012281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).