2-(5-fluoro-2-pyridinyl)-3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine

C18H11F4N5O — CID 70848102

IUPAC2-(5-fluoro-2-pyridinyl)-3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine
SMILESCOc1ccc(-c2c3ncc(C(F)(F)F)cc3nn2-c2ccc(F)cn2)cn1
InChIInChI=1S/C18H11F4N5O/c1-28-15-5-2-10(7-24-15)17-16-13(6-11(8-25-16)18(20,21)22)26-27(17)14-4-3-12(19)9-23-14/h2-9H,1H3
InChIKeyCMCIEQSOLOGXAU-UHFFFAOYSA-N
MW389.31 g/mol
LogP4.04
Rot. Bonds3

About 2-(5-fluoro-2-pyridinyl)-3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine

2-(5-fluoro-2-pyridinyl)-3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine (PubChem CID 70848102) has the molecular formula C18H11F4N5O and a molecular weight of 389.31 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine
PubChem CID70848102
Molecular FormulaC18H11F4N5O
Molecular Weight389.31 g/mol
Exact Mass389.09
IUPAC Name2-(5-fluoro-2-pyridinyl)-3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine
SMILESCOc1ccc(-c2c3ncc(C(F)(F)F)cc3nn2-c2ccc(F)cn2)cn1
InChIInChI=1S/C18H11F4N5O/c1-28-15-5-2-10(7-24-15)17-16-13(6-11(8-25-16)18(20,21)22)26-27(17)14-4-3-12(19)9-23-14/h2-9H,1H3
InChIKeyCMCIEQSOLOGXAU-UHFFFAOYSA-N
XLogP4.04
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.31
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(5-fluoro-2-pyridinyl)-3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-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 2-(5-fluoro-2-pyridinyl)-3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine (CID 70848102) is 2-(5-fluoro-2-pyridinyl)-3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine is COc1ccc(-c2c3ncc(C(F)(F)F)cc3nn2-c2ccc(F)cn2)cn1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
The InChIKey is CMCIEQSOLOGXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N5O/c1-28-15-5-2-10(7-24-15)17-16-13(6-11(8-25-16)18(20,21)22)26-27(17)14-4-3-12(19)9-23-14/h2-9H,1H3.
What are the key properties of 2-(5-fluoro-2-pyridinyl)-3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine?
2-(5-fluoro-2-pyridinyl)-3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine has a molecular weight of 389.31 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-3-(6-methoxy-3-pyridinyl)-6-(trifluoromethyl)pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 70848102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).