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

C19H14F3N5O — CID 155388869

IUPAC6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methoxypyrimidin-4-yl)methyl]pyrazolo[4,5-b]pyridine
SMILESCOc1nccc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)n1
InChIInChI=1S/C19H14F3N5O/c1-28-19-23-5-4-13(26-19)10-27-17-7-12(8-24-16(17)9-25-27)11-2-3-15(20)14(6-11)18(21)22/h2-9,18H,10H2,1H3
InChIKeyGPFIVOKCDMBHOQ-UHFFFAOYSA-N
MW385.35 g/mol
LogP4.02
Rot. Bonds5

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

6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methoxypyrimidin-4-yl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155388869) has the molecular formula C19H14F3N5O and a molecular weight of 385.35 g/mol. Its IUPAC name is 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methoxypyrimidin-4-yl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methoxypyrimidin-4-yl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155388869
Molecular FormulaC19H14F3N5O
Molecular Weight385.35 g/mol
Exact Mass385.12
IUPAC Name6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methoxypyrimidin-4-yl)methyl]pyrazolo[4,5-b]pyridine
SMILESCOc1nccc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)n1
InChIInChI=1S/C19H14F3N5O/c1-28-19-23-5-4-13(26-19)10-27-17-7-12(8-24-16(17)9-25-27)11-2-3-15(20)14(6-11)18(21)22/h2-9,18H,10H2,1H3
InChIKeyGPFIVOKCDMBHOQ-UHFFFAOYSA-N
XLogP4.02
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.35
LogP ≤ 54.02
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-[(2-methoxypyrimidin-4-yl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methoxypyrimidin-4-yl)methyl]pyrazolo[4,5-b]pyridine (CID 155388869) is 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methoxypyrimidin-4-yl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methoxypyrimidin-4-yl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methoxypyrimidin-4-yl)methyl]pyrazolo[4,5-b]pyridine is COc1nccc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)n1.
What is the InChIKey of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methoxypyrimidin-4-yl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is GPFIVOKCDMBHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O/c1-28-19-23-5-4-13(26-19)10-27-17-7-12(8-24-16(17)9-25-27)11-2-3-15(20)14(6-11)18(21)22/h2-9,18H,10H2,1H3.
What are the key properties of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methoxypyrimidin-4-yl)methyl]pyrazolo[4,5-b]pyridine?
6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methoxypyrimidin-4-yl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 385.35 g/mol, XLogP of 4.02, 5 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-[(2-methoxypyrimidin-4-yl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155388869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).