3-cyclopropyl-1-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

C20H15F4N5 — CID 44822946

IUPAC3-cyclopropyl-1-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCn1cc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(-c4ccc(F)cc4)c3n2)cn1
InChIInChI=1S/C20H15F4N5/c1-28-10-12(9-25-28)16-8-15(20(22,23)24)17-18(11-2-3-11)27-29(19(17)26-16)14-6-4-13(21)5-7-14/h4-11H,2-3H2,1H3
InChIKeyUZPNTQPJZWHKMP-UHFFFAOYSA-N
MW401.37 g/mol
LogP4.86
Rot. Bonds3

About 3-cyclopropyl-1-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine

3-cyclopropyl-1-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (PubChem CID 44822946) has the molecular formula C20H15F4N5 and a molecular weight of 401.37 g/mol. Its IUPAC name is 3-cyclopropyl-1-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-1-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
PubChem CID44822946
Molecular FormulaC20H15F4N5
Molecular Weight401.37 g/mol
Exact Mass401.13
IUPAC Name3-cyclopropyl-1-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
SMILESCn1cc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(-c4ccc(F)cc4)c3n2)cn1
InChIInChI=1S/C20H15F4N5/c1-28-10-12(9-25-28)16-8-15(20(22,23)24)17-18(11-2-3-11)27-29(19(17)26-16)14-6-4-13(21)5-7-14/h4-11H,2-3H2,1H3
InChIKeyUZPNTQPJZWHKMP-UHFFFAOYSA-N
XLogP4.86
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.37
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-cyclopropyl-1-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-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 3-cyclopropyl-1-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopropyl-1-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine (CID 44822946) is 3-cyclopropyl-1-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-1-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopropyl-1-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is Cn1cc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(-c4ccc(F)cc4)c3n2)cn1.
What is the InChIKey of 3-cyclopropyl-1-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
The InChIKey is UZPNTQPJZWHKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N5/c1-28-10-12(9-25-28)16-8-15(20(22,23)24)17-18(11-2-3-11)27-29(19(17)26-16)14-6-4-13(21)5-7-14/h4-11H,2-3H2,1H3.
What are the key properties of 3-cyclopropyl-1-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine?
3-cyclopropyl-1-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine has a molecular weight of 401.37 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(4-fluorophenyl)-6-(1-methylpyrazol-4-yl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 44822946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).