6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazolo[4,5-b]pyridine

C17H12F3N5O — CID 155388710

IUPAC6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazolo[4,5-b]pyridine
SMILESFc1ccc(-c2cnc3cnn(Cc4cn[nH]c4)c3c2)cc1OC(F)F
InChIInChI=1S/C17H12F3N5O/c18-13-2-1-11(4-16(13)26-17(19)20)12-3-15-14(21-7-12)8-24-25(15)9-10-5-22-23-6-10/h1-8,17H,9H2,(H,22,23)
InChIKeyUNGFJZQOBYXHNS-UHFFFAOYSA-N
MW359.31 g/mol
LogP3.61
Rot. Bonds5

About 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazolo[4,5-b]pyridine

6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazolo[4,5-b]pyridine (PubChem CID 155388710) has the molecular formula C17H12F3N5O and a molecular weight of 359.31 g/mol. Its IUPAC name is 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazolo[4,5-b]pyridine
PubChem CID155388710
Molecular FormulaC17H12F3N5O
Molecular Weight359.31 g/mol
Exact Mass359.10
IUPAC Name6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazolo[4,5-b]pyridine
SMILESFc1ccc(-c2cnc3cnn(Cc4cn[nH]c4)c3c2)cc1OC(F)F
InChIInChI=1S/C17H12F3N5O/c18-13-2-1-11(4-16(13)26-17(19)20)12-3-15-14(21-7-12)8-24-25(15)9-10-5-22-23-6-10/h1-8,17H,9H2,(H,22,23)
InChIKeyUNGFJZQOBYXHNS-UHFFFAOYSA-N
XLogP3.61
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.31
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazolo[4,5-b]pyridine (CID 155388710) is 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazolo[4,5-b]pyridine is Fc1ccc(-c2cnc3cnn(Cc4cn[nH]c4)c3c2)cc1OC(F)F.
What is the InChIKey of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazolo[4,5-b]pyridine?
The InChIKey is UNGFJZQOBYXHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N5O/c18-13-2-1-11(4-16(13)26-17(19)20)12-3-15-14(21-7-12)8-24-25(15)9-10-5-22-23-6-10/h1-8,17H,9H2,(H,22,23).
What are the key properties of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazolo[4,5-b]pyridine?
6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazolo[4,5-b]pyridine has a molecular weight of 359.31 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-(1H-pyrazol-4-ylmethyl)pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155388710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).