N-(2-pyrrolidin-1-ylethyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide

C24H23F3N8O — CID 135262091

About N-(2-pyrrolidin-1-ylethyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide

N-(2-pyrrolidin-1-ylethyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide (PubChem CID 135262091) has the molecular formula C24H23F3N8O and a molecular weight of 496.50 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ylethyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-pyrrolidin-1-ylethyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide
• PubChem CID: 135262091
• Molecular Formula: C24H23F3N8O
• Molecular Weight: 496.50 g/mol
• Exact Mass: 496.19
• IUPAC Name: N-(2-pyrrolidin-1-ylethyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide
• SMILES: O=C(NCCN1CCCC1)c1cnccc1Nc1nc(-c2cccc(C(F)(F)F)n2)nn2cccc12
• InChI: InChI=1S/C24H23F3N8O/c25-24(26,27)20-7-3-5-18(30-20)21-32-22(19-6-4-13-35(19)33-21)31-17-8-9-28-15-16(17)23(36)29-10-14-34-11-1-2-12-34/h3-9,13,15H,1-2,10-12,14H2,(H,29,36)(H,28,31,32,33)
• InChIKey: UUGFFSMCHXZYGT-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 100.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.50
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ylethyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide?

The IUPAC name of N-(2-pyrrolidin-1-ylethyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide (CID 135262091) is N-(2-pyrrolidin-1-ylethyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide.

What is the SMILES notation for N-(2-pyrrolidin-1-ylethyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide?

The canonical SMILES for N-(2-pyrrolidin-1-ylethyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide is O=C(NCCN1CCCC1)c1cnccc1Nc1nc(-c2cccc(C(F)(F)F)n2)nn2cccc12.

What is the InChIKey of N-(2-pyrrolidin-1-ylethyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide?

The InChIKey is UUGFFSMCHXZYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N8O/c25-24(26,27)20-7-3-5-18(30-20)21-32-22(19-6-4-13-35(19)33-21)31-17-8-9-28-15-16(17)23(36)29-10-14-34-11-1-2-12-34/h3-9,13,15H,1-2,10-12,14H2,(H,29,36)(H,28,31,32,33).

What are the key properties of N-(2-pyrrolidin-1-ylethyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide?

N-(2-pyrrolidin-1-ylethyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide has a molecular weight of 496.50 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-pyrrolidin-1-ylethyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 135262091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).