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

C27H25FN6O2 — CID 170009816

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

N-[(3-fluorophenyl)methyl]-1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]indole-3-carboxamide (PubChem CID 170009816) has the molecular formula C27H25FN6O2 and a molecular weight of 484.54 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]indole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(3-fluorophenyl)methyl]-1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]indole-3-carboxamide
• PubChem CID: 170009816
• Molecular Formula: C27H25FN6O2
• Molecular Weight: 484.54 g/mol
• Exact Mass: 484.20
• IUPAC Name: N-[(3-fluorophenyl)methyl]-1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]indole-3-carboxamide
• SMILES: CC(C)C(=O)Nc1nc2cc(-c3ccc4c(c3)c(C(=O)NCc3cccc(F)c3)cn4C)ccn2n1
• InChI: InChI=1S/C27H25FN6O2/c1-16(2)25(35)31-27-30-24-13-19(9-10-34(24)32-27)18-7-8-23-21(12-18)22(15-33(23)3)26(36)29-14-17-5-4-6-20(28)11-17/h4-13,15-16H,14H2,1-3H3,(H,29,36)(H,31,32,35)
• InChIKey: GQHIPDAACUTLNP-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 93.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.54
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(3-fluorophenyl)methyl]-1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]indole-3-carboxamide (CID 170009816) is N-[(3-fluorophenyl)methyl]-1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]indole-3-carboxamide.

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

The canonical SMILES for N-[(3-fluorophenyl)methyl]-1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]indole-3-carboxamide is CC(C)C(=O)Nc1nc2cc(-c3ccc4c(c3)c(C(=O)NCc3cccc(F)c3)cn4C)ccn2n1.

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

The InChIKey is GQHIPDAACUTLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O2/c1-16(2)25(35)31-27-30-24-13-19(9-10-34(24)32-27)18-7-8-23-21(12-18)22(15-33(23)3)26(36)29-14-17-5-4-6-20(28)11-17/h4-13,15-16H,14H2,1-3H3,(H,29,36)(H,31,32,35).

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

N-[(3-fluorophenyl)methyl]-1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]indole-3-carboxamide has a molecular weight of 484.54 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-fluorophenyl)methyl]-1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]indole-3-carboxamide is sourced from PubChem (CID 170009816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).