6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazolo[4,5-b]pyridine

C17H13F3N6 — CID 155399899

IUPAC6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazolo[4,5-b]pyridine
SMILESCn1cnnc1Cn1ncc2ncc(-c3ccc(F)c(C(F)F)c3)cc21
InChIInChI=1S/C17H13F3N6/c1-25-9-22-24-16(25)8-26-15-5-11(6-21-14(15)7-23-26)10-2-3-13(18)12(4-10)17(19)20/h2-7,9,17H,8H2,1H3
InChIKeyFTUJUCYGYDUUOK-UHFFFAOYSA-N
MW358.33 g/mol
LogP3.35
Rot. Bonds4

About 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazolo[4,5-b]pyridine

6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155399899) has the molecular formula C17H13F3N6 and a molecular weight of 358.33 g/mol. Its IUPAC name is 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155399899
Molecular FormulaC17H13F3N6
Molecular Weight358.33 g/mol
Exact Mass358.12
IUPAC Name6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazolo[4,5-b]pyridine
SMILESCn1cnnc1Cn1ncc2ncc(-c3ccc(F)c(C(F)F)c3)cc21
InChIInChI=1S/C17H13F3N6/c1-25-9-22-24-16(25)8-26-15-5-11(6-21-14(15)7-23-26)10-2-3-13(18)12(4-10)17(19)20/h2-7,9,17H,8H2,1H3
InChIKeyFTUJUCYGYDUUOK-UHFFFAOYSA-N
XLogP3.35
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.33
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazolo[4,5-b]pyridine (CID 155399899) is 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazolo[4,5-b]pyridine is Cn1cnnc1Cn1ncc2ncc(-c3ccc(F)c(C(F)F)c3)cc21.
What is the InChIKey of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is FTUJUCYGYDUUOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6/c1-25-9-22-24-16(25)8-26-15-5-11(6-21-14(15)7-23-26)10-2-3-13(18)12(4-10)17(19)20/h2-7,9,17H,8H2,1H3.
What are the key properties of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazolo[4,5-b]pyridine?
6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 358.33 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155399899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).