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

C20H15F3N4O2 — CID 155389943

IUPAC6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESCOc1ncccc1Cn1ncc2ncc(-c3ccc(F)c(OC(F)F)c3)cc21
InChIInChI=1S/C20H15F3N4O2/c1-28-19-13(3-2-6-24-19)11-27-17-7-14(9-25-16(17)10-26-27)12-4-5-15(21)18(8-12)29-20(22)23/h2-10,20H,11H2,1H3
InChIKeyVMJHYSPHNUBCOW-UHFFFAOYSA-N
MW400.36 g/mol
LogP4.29
Rot. Bonds6

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

6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155389943) has the molecular formula C20H15F3N4O2 and a molecular weight of 400.36 g/mol. Its IUPAC name is 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155389943
Molecular FormulaC20H15F3N4O2
Molecular Weight400.36 g/mol
Exact Mass400.11
IUPAC Name6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESCOc1ncccc1Cn1ncc2ncc(-c3ccc(F)c(OC(F)F)c3)cc21
InChIInChI=1S/C20H15F3N4O2/c1-28-19-13(3-2-6-24-19)11-27-17-7-14(9-25-16(17)10-26-27)12-4-5-15(21)18(8-12)29-20(22)23/h2-10,20H,11H2,1H3
InChIKeyVMJHYSPHNUBCOW-UHFFFAOYSA-N
XLogP4.29
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (CID 155389943) is 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is COc1ncccc1Cn1ncc2ncc(-c3ccc(F)c(OC(F)F)c3)cc21.
What is the InChIKey of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is VMJHYSPHNUBCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2/c1-28-19-13(3-2-6-24-19)11-27-17-7-14(9-25-16(17)10-26-27)12-4-5-15(21)18(8-12)29-20(22)23/h2-10,20H,11H2,1H3.
What are the key properties of 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 400.36 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(difluoromethoxy)-4-fluorophenyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155389943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).