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

C20H15F3N4O — CID 155388662

IUPAC6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESCc1cncc(Cn2ncc3ncc(-c4ccc(F)c(OC(F)F)c4)cc32)c1
InChIInChI=1S/C20H15F3N4O/c1-12-4-13(8-24-7-12)11-27-18-5-15(9-25-17(18)10-26-27)14-2-3-16(21)19(6-14)28-20(22)23/h2-10,20H,11H2,1H3
InChIKeyIWPMRAHGXTUFQD-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.59
Rot. Bonds5

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

6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155388662) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155388662
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC Name6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESCc1cncc(Cn2ncc3ncc(-c4ccc(F)c(OC(F)F)c4)cc32)c1
InChIInChI=1S/C20H15F3N4O/c1-12-4-13(8-24-7-12)11-27-18-5-15(9-25-17(18)10-26-27)14-2-3-16(21)19(6-14)28-20(22)23/h2-10,20H,11H2,1H3
InChIKeyIWPMRAHGXTUFQD-UHFFFAOYSA-N
XLogP4.59
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 ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (CID 155388662) is 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is Cc1cncc(Cn2ncc3ncc(-c4ccc(F)c(OC(F)F)c4)cc32)c1.
What is the InChIKey of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is IWPMRAHGXTUFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O/c1-12-4-13(8-24-7-12)11-27-18-5-15(9-25-17(18)10-26-27)14-2-3-16(21)19(6-14)28-20(22)23/h2-10,20H,11H2,1H3.
What are the key properties of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 384.36 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(5-methyl-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155388662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).