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

C20H15F3N4O — CID 155389307

IUPAC6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESCOc1ncccc1Cn1ncc2ncc(-c3ccc(F)c(C(F)F)c3)cc21
InChIInChI=1S/C20H15F3N4O/c1-28-20-13(3-2-6-24-20)11-27-18-8-14(9-25-17(18)10-26-27)12-4-5-16(21)15(7-12)19(22)23/h2-10,19H,11H2,1H3
InChIKeyONMGOWSETLWDPP-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.63
Rot. Bonds5

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

6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155389307) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155389307
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC Name6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESCOc1ncccc1Cn1ncc2ncc(-c3ccc(F)c(C(F)F)c3)cc21
InChIInChI=1S/C20H15F3N4O/c1-28-20-13(3-2-6-24-20)11-27-18-8-14(9-25-17(18)10-26-27)12-4-5-16(21)15(7-12)19(22)23/h2-10,19H,11H2,1H3
InChIKeyONMGOWSETLWDPP-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (CID 155389307) is 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is COc1ncccc1Cn1ncc2ncc(-c3ccc(F)c(C(F)F)c3)cc21.
What is the InChIKey of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is ONMGOWSETLWDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O/c1-28-20-13(3-2-6-24-20)11-27-18-8-14(9-25-17(18)10-26-27)12-4-5-16(21)15(7-12)19(22)23/h2-10,19H,11H2,1H3.
What are the key properties of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(2-methoxy-3-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-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155389307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).