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

C19H14F3N5O2 — CID 155389175

IUPAC6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(6-methoxypyrimidin-4-yl)methyl]pyrazolo[4,5-b]pyridine
SMILESCOc1cc(Cn2ncc3ncc(-c4ccc(F)c(OC(F)F)c4)cc32)ncn1
InChIInChI=1S/C19H14F3N5O2/c1-28-18-6-13(24-10-25-18)9-27-16-4-12(7-23-15(16)8-26-27)11-2-3-14(20)17(5-11)29-19(21)22/h2-8,10,19H,9H2,1H3
InChIKeyJESKNGMJOPGUJT-UHFFFAOYSA-N
MW401.35 g/mol
LogP3.69
Rot. Bonds6

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

6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(6-methoxypyrimidin-4-yl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155389175) has the molecular formula C19H14F3N5O2 and a molecular weight of 401.35 g/mol. Its IUPAC name is 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(6-methoxypyrimidin-4-yl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(6-methoxypyrimidin-4-yl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155389175
Molecular FormulaC19H14F3N5O2
Molecular Weight401.35 g/mol
Exact Mass401.11
IUPAC Name6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(6-methoxypyrimidin-4-yl)methyl]pyrazolo[4,5-b]pyridine
SMILESCOc1cc(Cn2ncc3ncc(-c4ccc(F)c(OC(F)F)c4)cc32)ncn1
InChIInChI=1S/C19H14F3N5O2/c1-28-18-6-13(24-10-25-18)9-27-16-4-12(7-23-15(16)8-26-27)11-2-3-14(20)17(5-11)29-19(21)22/h2-8,10,19H,9H2,1H3
InChIKeyJESKNGMJOPGUJT-UHFFFAOYSA-N
XLogP3.69
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(6-methoxypyrimidin-4-yl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(6-methoxypyrimidin-4-yl)methyl]pyrazolo[4,5-b]pyridine (CID 155389175) is 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(6-methoxypyrimidin-4-yl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(6-methoxypyrimidin-4-yl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(6-methoxypyrimidin-4-yl)methyl]pyrazolo[4,5-b]pyridine is COc1cc(Cn2ncc3ncc(-c4ccc(F)c(OC(F)F)c4)cc32)ncn1.
What is the InChIKey of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(6-methoxypyrimidin-4-yl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is JESKNGMJOPGUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O2/c1-28-18-6-13(24-10-25-18)9-27-16-4-12(7-23-15(16)8-26-27)11-2-3-14(20)17(5-11)29-19(21)22/h2-8,10,19H,9H2,1H3.
What are the key properties of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(6-methoxypyrimidin-4-yl)methyl]pyrazolo[4,5-b]pyridine?
6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(6-methoxypyrimidin-4-yl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 401.35 g/mol, XLogP of 3.69, 6 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-[(6-methoxypyrimidin-4-yl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155389175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).