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

C19H12ClF3N4O — CID 155389274

IUPAC6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESFc1cncc(Cn2ncc3ncc(-c4ccc(Cl)c(OC(F)F)c4)cc32)c1
InChIInChI=1S/C19H12ClF3N4O/c20-15-2-1-12(5-18(15)28-19(22)23)13-4-17-16(25-7-13)9-26-27(17)10-11-3-14(21)8-24-6-11/h1-9,19H,10H2
InChIKeyMVTBHVLTCDXLGR-UHFFFAOYSA-N
MW404.78 g/mol
LogP4.94
Rot. Bonds5

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

6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155389274) has the molecular formula C19H12ClF3N4O and a molecular weight of 404.78 g/mol. Its IUPAC name is 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155389274
Molecular FormulaC19H12ClF3N4O
Molecular Weight404.78 g/mol
Exact Mass404.07
IUPAC Name6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESFc1cncc(Cn2ncc3ncc(-c4ccc(Cl)c(OC(F)F)c4)cc32)c1
InChIInChI=1S/C19H12ClF3N4O/c20-15-2-1-12(5-18(15)28-19(22)23)13-4-17-16(25-7-13)9-26-27(17)10-11-3-14(21)8-24-6-11/h1-9,19H,10H2
InChIKeyMVTBHVLTCDXLGR-UHFFFAOYSA-N
XLogP4.94
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.78
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-fluoro-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-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (CID 155389274) is 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is Fc1cncc(Cn2ncc3ncc(-c4ccc(Cl)c(OC(F)F)c4)cc32)c1.
What is the InChIKey of 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is MVTBHVLTCDXLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N4O/c20-15-2-1-12(5-18(15)28-19(22)23)13-4-17-16(25-7-13)9-26-27(17)10-11-3-14(21)8-24-6-11/h1-9,19H,10H2.
What are the key properties of 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 404.78 g/mol, XLogP of 4.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-chloro-3-(difluoromethoxy)phenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155389274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).