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

C20H15F3N4O — CID 155389052

IUPAC6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-methoxy-2-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESCOc1cccc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)n1
InChIInChI=1S/C20H15F3N4O/c1-28-19-4-2-3-14(26-19)11-27-18-8-13(9-24-17(18)10-25-27)12-5-6-16(21)15(7-12)20(22)23/h2-10,20H,11H2,1H3
InChIKeyFQWQHXCVDKORON-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.63
Rot. Bonds5

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

6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-methoxy-2-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155389052) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-methoxy-2-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-methoxy-2-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155389052
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC Name6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-methoxy-2-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESCOc1cccc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)n1
InChIInChI=1S/C20H15F3N4O/c1-28-19-4-2-3-14(26-19)11-27-18-8-13(9-24-17(18)10-25-27)12-5-6-16(21)15(7-12)20(22)23/h2-10,20H,11H2,1H3
InChIKeyFQWQHXCVDKORON-UHFFFAOYSA-N
XLogP4.63
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-methoxy-2-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-methoxy-2-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (CID 155389052) is 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-methoxy-2-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-methoxy-2-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-methoxy-2-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is COc1cccc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)n1.
What is the InChIKey of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-methoxy-2-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is FQWQHXCVDKORON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O/c1-28-19-4-2-3-14(26-19)11-27-18-8-13(9-24-17(18)10-25-27)12-5-6-16(21)15(7-12)20(22)23/h2-10,20H,11H2,1H3.
What are the key properties of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-methoxy-2-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-methoxy-2-pyridinyl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 384.36 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-methoxy-2-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155389052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).