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

C18H12F3N7O — CID 126484275

IUPAC4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3cccc23)ccn1
InChIInChI=1S/C18H12F3N7O/c19-18(20,21)14-5-1-3-11(25-14)16-26-17(13-4-2-8-28(13)27-16)24-10-6-7-23-12(9-10)15(22)29/h1-9H,(H2,22,29)(H,23,24,26,27)
InChIKeyLARHPAPBTVOUHP-UHFFFAOYSA-N
MW399.34 g/mol
LogP3.05
Rot. Bonds4

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

4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-2-carboxamide (PubChem CID 126484275) has the molecular formula C18H12F3N7O and a molecular weight of 399.34 g/mol. Its IUPAC name is 4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-2-carboxamide
PubChem CID126484275
Molecular FormulaC18H12F3N7O
Molecular Weight399.34 g/mol
Exact Mass399.11
IUPAC Name4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3cccc23)ccn1
InChIInChI=1S/C18H12F3N7O/c19-18(20,21)14-5-1-3-11(25-14)16-26-17(13-4-2-8-28(13)27-16)24-10-6-7-23-12(9-10)15(22)29/h1-9H,(H2,22,29)(H,23,24,26,27)
InChIKeyLARHPAPBTVOUHP-UHFFFAOYSA-N
XLogP3.05
TPSA111.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-2-carboxamide (CID 126484275) is 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 4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-2-carboxamide is NC(=O)c1cc(Nc2nc(-c3cccc(C(F)(F)F)n3)nn3cccc23)ccn1.
What is the InChIKey of 4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-2-carboxamide?
The InChIKey is LARHPAPBTVOUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N7O/c19-18(20,21)14-5-1-3-11(25-14)16-26-17(13-4-2-8-28(13)27-16)24-10-6-7-23-12(9-10)15(22)29/h1-9H,(H2,22,29)(H,23,24,26,27).
What are the key properties of 4-[[2-[6-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]pyridine-2-carboxamide?
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 399.34 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 126484275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).