7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-5-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C25H21F6N9O — CID 155231978

IUPAC7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-5-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC(C)C(c1ccc(C(F)(F)F)nc1)n1cc(-c2cc(-c3cnc(OCC(F)(F)F)nc3)n3nc(N)nc3c2)cn1
InChIInChI=1S/C25H21F6N9O/c1-13(2)21(14-3-4-19(33-7-14)25(29,30)31)39-11-17(10-36-39)15-5-18(40-20(6-15)37-22(32)38-40)16-8-34-23(35-9-16)41-12-24(26,27)28/h3-11,13,21H,12H2,1-2H3,(H2,32,38)
InChIKeyHNCGXQPUWDTFPX-UHFFFAOYSA-N
MW577.49 g/mol
LogP5.23
Rot. Bonds7

About 7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-5-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-5-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 155231978) has the molecular formula C25H21F6N9O and a molecular weight of 577.49 g/mol. Its IUPAC name is 7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-5-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-5-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID155231978
Molecular FormulaC25H21F6N9O
Molecular Weight577.49 g/mol
Exact Mass577.18
IUPAC Name7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-5-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC(C)C(c1ccc(C(F)(F)F)nc1)n1cc(-c2cc(-c3cnc(OCC(F)(F)F)nc3)n3nc(N)nc3c2)cn1
InChIInChI=1S/C25H21F6N9O/c1-13(2)21(14-3-4-19(33-7-14)25(29,30)31)39-11-17(10-36-39)15-5-18(40-20(6-15)37-22(32)38-40)16-8-34-23(35-9-16)41-12-24(26,27)28/h3-11,13,21H,12H2,1-2H3,(H2,32,38)
InChIKeyHNCGXQPUWDTFPX-UHFFFAOYSA-N
XLogP5.23
TPSA121.93 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.49
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-5-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-5-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-5-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 155231978) is 7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-5-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-5-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-5-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CC(C)C(c1ccc(C(F)(F)F)nc1)n1cc(-c2cc(-c3cnc(OCC(F)(F)F)nc3)n3nc(N)nc3c2)cn1.
What is the InChIKey of 7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-5-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is HNCGXQPUWDTFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F6N9O/c1-13(2)21(14-3-4-19(33-7-14)25(29,30)31)39-11-17(10-36-39)15-5-18(40-20(6-15)37-22(32)38-40)16-8-34-23(35-9-16)41-12-24(26,27)28/h3-11,13,21H,12H2,1-2H3,(H2,32,38).
What are the key properties of 7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-5-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-5-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 577.49 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propyl]pyrazol-4-yl]-5-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 155231978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).