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

C22H20F3N7O2 — CID 126484299

IUPACN-(2-hydroxy-2-methylpropyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3cccc23)ccn1
InChIInChI=1S/C22H20F3N7O2/c1-21(2,34)12-27-20(33)15-11-13(8-9-26-15)28-19-16-6-4-10-32(16)31-18(30-19)14-5-3-7-17(29-14)22(23,24)25/h3-11,34H,12H2,1-2H3,(H,27,33)(H,26,28,30,31)
InChIKeyNILZVGLQKOYWFI-UHFFFAOYSA-N
MW471.44 g/mol
LogP3.45
Rot. Bonds6

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

N-(2-hydroxy-2-methylpropyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-2-carboxamide (PubChem CID 126484299) has the molecular formula C22H20F3N7O2 and a molecular weight of 471.44 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-2-carboxamide
PubChem CID126484299
Molecular FormulaC22H20F3N7O2
Molecular Weight471.44 g/mol
Exact Mass471.16
IUPAC NameN-(2-hydroxy-2-methylpropyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-2-carboxamide
SMILESCC(C)(O)CNC(=O)c1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3cccc23)ccn1
InChIInChI=1S/C22H20F3N7O2/c1-21(2,34)12-27-20(33)15-11-13(8-9-26-15)28-19-16-6-4-10-32(16)31-18(30-19)14-5-3-7-17(29-14)22(23,24)25/h3-11,34H,12H2,1-2H3,(H,27,33)(H,26,28,30,31)
InChIKeyNILZVGLQKOYWFI-UHFFFAOYSA-N
XLogP3.45
TPSA117.33 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-2-carboxamide (CID 126484299) is N-(2-hydroxy-2-methylpropyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-2-carboxamide is CC(C)(O)CNC(=O)c1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3cccc23)ccn1.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-2-carboxamide?
The InChIKey is NILZVGLQKOYWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N7O2/c1-21(2,34)12-27-20(33)15-11-13(8-9-26-15)28-19-16-6-4-10-32(16)31-18(30-19)14-5-3-7-17(29-14)22(23,24)25/h3-11,34H,12H2,1-2H3,(H,27,33)(H,26,28,30,31).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-2-carboxamide?
N-(2-hydroxy-2-methylpropyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-2-carboxamide has a molecular weight of 471.44 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 126484299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).