1-[(2,5-difluorophenyl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine

C16H9F5N6 — CID 134498648

IUPAC1-[(2,5-difluorophenyl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine
SMILESFc1ccc(F)c(Cn2nc(-c3n[nH]c(C(F)(F)F)n3)c3cccnc32)c1
InChIInChI=1S/C16H9F5N6/c17-9-3-4-11(18)8(6-9)7-27-14-10(2-1-5-22-14)12(26-27)13-23-15(25-24-13)16(19,20)21/h1-6H,7H2,(H,23,24,25)
InChIKeyPFMMRIJQFCTNJY-UHFFFAOYSA-N
MW380.28 g/mol
LogP3.56
Rot. Bonds3

About 1-[(2,5-difluorophenyl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine

1-[(2,5-difluorophenyl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine (PubChem CID 134498648) has the molecular formula C16H9F5N6 and a molecular weight of 380.28 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine
PubChem CID134498648
Molecular FormulaC16H9F5N6
Molecular Weight380.28 g/mol
Exact Mass380.08
IUPAC Name1-[(2,5-difluorophenyl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine
SMILESFc1ccc(F)c(Cn2nc(-c3n[nH]c(C(F)(F)F)n3)c3cccnc32)c1
InChIInChI=1S/C16H9F5N6/c17-9-3-4-11(18)8(6-9)7-27-14-10(2-1-5-22-14)12(26-27)13-23-15(25-24-13)16(19,20)21/h1-6H,7H2,(H,23,24,25)
InChIKeyPFMMRIJQFCTNJY-UHFFFAOYSA-N
XLogP3.56
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(pyrimidin-5-ylmethyl)-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine
CID 134517468
1-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]cyclopropan-1-ol
CID 134499366
2,2,2-trifluoro-1-[3-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]azetidin-1-yl]ethanol
CID 134517692
2,2,2-trifluoro-1-[3-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]azetidin-1-yl]ethanone
CID 134517505
1-[2-[3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-5-yl]ethyl]pyrrolidin-2-one
CID 130249985
3-(5-methyl-1H-1,2,4-triazol-3-yl)-1-(3,3,3-trifluoropropyl)pyrazolo[5,4-b]pyridine
CID 146433891
[4-[5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1H-1,2,4-triazol-3-yl]phenyl]methanol
CID 130250193
2-[1-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]spiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one
CID 56597208
5-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-2H-triazolo[4,5-d]pyrimidin-7-amine
CID 66613971
6-(1-fluoroethyl)-3-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-5-amine
CID 71612612
bis(2-(2,4-difluorophenyl)pyridine);indium(3+);2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyridine
CID 159112351
2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine
CID 131874918

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine (CID 134498648) is 1-[(2,5-difluorophenyl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine is Fc1ccc(F)c(Cn2nc(-c3n[nH]c(C(F)(F)F)n3)c3cccnc32)c1.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine?
The InChIKey is PFMMRIJQFCTNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F5N6/c17-9-3-4-11(18)8(6-9)7-27-14-10(2-1-5-22-14)12(26-27)13-23-15(25-24-13)16(19,20)21/h1-6H,7H2,(H,23,24,25).
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine?
1-[(2,5-difluorophenyl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine has a molecular weight of 380.28 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-3-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 134498648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).