6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methyltriazol-4-yl)methyl]pyrazolo[4,5-b]pyridine

C17H13F3N6O — CID 155389479

IUPAC6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methyltriazol-4-yl)methyl]pyrazolo[4,5-b]pyridine
SMILESCn1cc(Cn2ncc3ncc(-c4ccc(F)c(OC(F)F)c4)cc32)nn1
InChIInChI=1S/C17H13F3N6O/c1-25-8-12(23-24-25)9-26-15-4-11(6-21-14(15)7-22-26)10-2-3-13(18)16(5-10)27-17(19)20/h2-8,17H,9H2,1H3
InChIKeyHOJFGLQOZFVIKA-UHFFFAOYSA-N
MW374.33 g/mol
LogP3.02
Rot. Bonds5

About 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methyltriazol-4-yl)methyl]pyrazolo[4,5-b]pyridine

6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methyltriazol-4-yl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155389479) has the molecular formula C17H13F3N6O and a molecular weight of 374.33 g/mol. Its IUPAC name is 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methyltriazol-4-yl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methyltriazol-4-yl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155389479
Molecular FormulaC17H13F3N6O
Molecular Weight374.33 g/mol
Exact Mass374.11
IUPAC Name6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methyltriazol-4-yl)methyl]pyrazolo[4,5-b]pyridine
SMILESCn1cc(Cn2ncc3ncc(-c4ccc(F)c(OC(F)F)c4)cc32)nn1
InChIInChI=1S/C17H13F3N6O/c1-25-8-12(23-24-25)9-26-15-4-11(6-21-14(15)7-22-26)10-2-3-13(18)16(5-10)27-17(19)20/h2-8,17H,9H2,1H3
InChIKeyHOJFGLQOZFVIKA-UHFFFAOYSA-N
XLogP3.02
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methyltriazol-4-yl)methyl]pyrazolo[4,5-b]pyridine with MolForge

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Related Compounds

Dihydropyrrolopyrazole, 7f
CID 21992672
3-[2-Fluoro-5-(trifluoromethyl)phenyl]-7-methoxy-1-(pyrazin-2-ylmethyl)indazole
CID 134611931
6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine
CID 155817682
US10034861, Example 165
CID 132273284
2-Methoxy-5-[4-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phenyl]pyridine
CID 155544904
2-(4-Fluorophenyl)-7-methoxy-3-pyridin-4-ylpyrazolo[1,5-a]pyridine
CID 9923028
(5-Methoxy-indol-1-yl)-propyl-pyridin-4-yl-amine
CID 10731528
7-(Cyclopentyloxy)-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 21027369
7-Ethoxy-2-(4-fluorophenyl)-3-(pyridin-4-yl)pyrazolo[1,5-a]pyridine
CID 21027376
2-(4-Fluorophenyl)-3-(pyridin-4-yl)-7-(2,2,2-trifluoroethoxy)pyrazolo[1,5-a]pyridine
CID 21027446
2-ethyl-7-(4-methoxy-2-methylphenyl)-N,N-dipropylpyrazolo[1,5-a]pyridin-3-amine
CID 21984746
3-(4-methoxyphenyl)-2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
CID 21992651

Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methyltriazol-4-yl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methyltriazol-4-yl)methyl]pyrazolo[4,5-b]pyridine (CID 155389479) is 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methyltriazol-4-yl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methyltriazol-4-yl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methyltriazol-4-yl)methyl]pyrazolo[4,5-b]pyridine is Cn1cc(Cn2ncc3ncc(-c4ccc(F)c(OC(F)F)c4)cc32)nn1.
What is the InChIKey of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methyltriazol-4-yl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is HOJFGLQOZFVIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6O/c1-25-8-12(23-24-25)9-26-15-4-11(6-21-14(15)7-22-26)10-2-3-13(18)16(5-10)27-17(19)20/h2-8,17H,9H2,1H3.
What are the key properties of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methyltriazol-4-yl)methyl]pyrazolo[4,5-b]pyridine?
6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methyltriazol-4-yl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 374.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(1-methyltriazol-4-yl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155389479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).