5-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]pyridine-3-carboxylic acid

C19H13F3N6O2 — CID 68872411

IUPAC5-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]pyridine-3-carboxylic acid
SMILESCc1nc(-c2cccc(C(F)(F)F)c2)n2nc(Nc3cncc(C(=O)O)c3)ncc12
InChIInChI=1S/C19H13F3N6O2/c1-10-15-9-24-18(26-14-6-12(17(29)30)7-23-8-14)27-28(15)16(25-10)11-3-2-4-13(5-11)19(20,21)22/h2-9H,1H3,(H,26,27)(H,29,30)
InChIKeyGUIPTKHHYVDKNP-UHFFFAOYSA-N
MW414.35 g/mol
LogP3.96
Rot. Bonds4

About 5-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]pyridine-3-carboxylic acid

5-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]pyridine-3-carboxylic acid (PubChem CID 68872411) has the molecular formula C19H13F3N6O2 and a molecular weight of 414.35 g/mol. Its IUPAC name is 5-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]pyridine-3-carboxylic acid
PubChem CID68872411
Molecular FormulaC19H13F3N6O2
Molecular Weight414.35 g/mol
Exact Mass414.11
IUPAC Name5-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]pyridine-3-carboxylic acid
SMILESCc1nc(-c2cccc(C(F)(F)F)c2)n2nc(Nc3cncc(C(=O)O)c3)ncc12
InChIInChI=1S/C19H13F3N6O2/c1-10-15-9-24-18(26-14-6-12(17(29)30)7-23-8-14)27-28(15)16(25-10)11-3-2-4-13(5-11)19(20,21)22/h2-9H,1H3,(H,26,27)(H,29,30)
InChIKeyGUIPTKHHYVDKNP-UHFFFAOYSA-N
XLogP3.96
TPSA105.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.35
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]pyridine-3-carboxylic acid (CID 68872411) is 5-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]pyridine-3-carboxylic acid is Cc1nc(-c2cccc(C(F)(F)F)c2)n2nc(Nc3cncc(C(=O)O)c3)ncc12.
What is the InChIKey of 5-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is GUIPTKHHYVDKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N6O2/c1-10-15-9-24-18(26-14-6-12(17(29)30)7-23-8-14)27-28(15)16(25-10)11-3-2-4-13(5-11)19(20,21)22/h2-9H,1H3,(H,26,27)(H,29,30).
What are the key properties of 5-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]pyridine-3-carboxylic acid?
5-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 414.35 g/mol, XLogP of 3.96, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-methyl-7-[3-(trifluoromethyl)phenyl]imidazo[5,1-f][1,2,4]triazin-2-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 68872411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).