5-[[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

C30H24F4N6O2 — CID 159121182

About 5-[[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide

5-[[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (PubChem CID 159121182) has the molecular formula C30H24F4N6O2 and a molecular weight of 576.55 g/mol. Its IUPAC name is 5-[[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
• PubChem CID: 159121182
• Molecular Formula: C30H24F4N6O2
• Molecular Weight: 576.55 g/mol
• Exact Mass: 576.19
• IUPAC Name: 5-[[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
• SMILES: Cc1cc(C(=O)NCC(F)(F)F)ncc1Nc1nc2ccc(-c3ccc(CC(=O)Cc4ccc(F)cc4)cc3)cn2n1
• InChI: InChI=1S/C30H24F4N6O2/c1-18-12-25(28(42)36-17-30(32,33)34)35-15-26(18)37-29-38-27-11-8-22(16-40(27)39-29)21-6-2-19(3-7-21)13-24(41)14-20-4-9-23(31)10-5-20/h2-12,15-16H,13-14,17H2,1H3,(H,36,42)(H,37,39)
• InChIKey: KFSFJYGOWRJEAI-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 101.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.55
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?

The IUPAC name of 5-[[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide (CID 159121182) is 5-[[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide.

What is the SMILES notation for 5-[[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?

The canonical SMILES for 5-[[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is Cc1cc(C(=O)NCC(F)(F)F)ncc1Nc1nc2ccc(-c3ccc(CC(=O)Cc4ccc(F)cc4)cc3)cn2n1.

What is the InChIKey of 5-[[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?

The InChIKey is KFSFJYGOWRJEAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F4N6O2/c1-18-12-25(28(42)36-17-30(32,33)34)35-15-26(18)37-29-38-27-11-8-22(16-40(27)39-29)21-6-2-19(3-7-21)13-24(41)14-20-4-9-23(31)10-5-20/h2-12,15-16H,13-14,17H2,1H3,(H,36,42)(H,37,39).

What are the key properties of 5-[[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide?

5-[[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide has a molecular weight of 576.55 g/mol, XLogP of 5.63, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[6-[4-[3-(4-fluorophenyl)-2-oxopropyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-4-methyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide is sourced from PubChem (CID 159121182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).