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

C25H25F3N8O — CID 135262293

IUPACN-(2-piperidin-1-ylethyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cnccc1Nc1nc(-c2cccc(C(F)(F)F)n2)nn2cccc12
InChIInChI=1S/C25H25F3N8O/c26-25(27,28)21-8-4-6-19(31-21)22-33-23(20-7-5-14-36(20)34-22)32-18-9-10-29-16-17(18)24(37)30-11-15-35-12-2-1-3-13-35/h4-10,14,16H,1-3,11-13,15H2,(H,30,37)(H,29,32,33,34)
InChIKeySMYZWXXKLRBURY-UHFFFAOYSA-N
MW510.52 g/mol
LogP4.16
Rot. Bonds7

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

N-(2-piperidin-1-ylethyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide (PubChem CID 135262293) has the molecular formula C25H25F3N8O and a molecular weight of 510.52 g/mol. Its IUPAC name is N-(2-piperidin-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 NameN-(2-piperidin-1-ylethyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide
PubChem CID135262293
Molecular FormulaC25H25F3N8O
Molecular Weight510.52 g/mol
Exact Mass510.21
IUPAC NameN-(2-piperidin-1-ylethyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide
SMILESO=C(NCCN1CCCCC1)c1cnccc1Nc1nc(-c2cccc(C(F)(F)F)n2)nn2cccc12
InChIInChI=1S/C25H25F3N8O/c26-25(27,28)21-8-4-6-19(31-21)22-33-23(20-7-5-14-36(20)34-22)32-18-9-10-29-16-17(18)24(37)30-11-15-35-12-2-1-3-13-35/h4-10,14,16H,1-3,11-13,15H2,(H,30,37)(H,29,32,33,34)
InChIKeySMYZWXXKLRBURY-UHFFFAOYSA-N
XLogP4.16
TPSA100.34 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.52
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-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-piperidin-1-ylethyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide (CID 135262293) is N-(2-piperidin-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-piperidin-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-piperidin-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(NCCN1CCCCC1)c1cnccc1Nc1nc(-c2cccc(C(F)(F)F)n2)nn2cccc12.
What is the InChIKey of N-(2-piperidin-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 SMYZWXXKLRBURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N8O/c26-25(27,28)21-8-4-6-19(31-21)22-33-23(20-7-5-14-36(20)34-22)32-18-9-10-29-16-17(18)24(37)30-11-15-35-12-2-1-3-13-35/h4-10,14,16H,1-3,11-13,15H2,(H,30,37)(H,29,32,33,34).
What are the key properties of N-(2-piperidin-1-ylethyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-3-carboxamide?
N-(2-piperidin-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 510.52 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-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 135262293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).