4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine

C19H16F3N5 — CID 29090665

IUPAC4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine
SMILESCCn1cc(-c2cc(C(F)F)c3c(C)nn(-c4ccc(F)cc4)c3n2)cn1
InChIInChI=1S/C19H16F3N5/c1-3-26-10-12(9-23-26)16-8-15(18(21)22)17-11(2)25-27(19(17)24-16)14-6-4-13(20)5-7-14/h4-10,18H,3H2,1-2H3
InChIKeyWZBBMQUPLGMFGS-UHFFFAOYSA-N
MW371.37 g/mol
LogP4.69
Rot. Bonds4

About 4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine

4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine (PubChem CID 29090665) has the molecular formula C19H16F3N5 and a molecular weight of 371.37 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine
PubChem CID29090665
Molecular FormulaC19H16F3N5
Molecular Weight371.37 g/mol
Exact Mass371.14
IUPAC Name4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine
SMILESCCn1cc(-c2cc(C(F)F)c3c(C)nn(-c4ccc(F)cc4)c3n2)cn1
InChIInChI=1S/C19H16F3N5/c1-3-26-10-12(9-23-26)16-8-15(18(21)22)17-11(2)25-27(19(17)24-16)14-6-4-13(20)5-7-14/h4-10,18H,3H2,1-2H3
InChIKeyWZBBMQUPLGMFGS-UHFFFAOYSA-N
XLogP4.69
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[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 4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine?
The IUPAC name of 4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine (CID 29090665) is 4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine is CCn1cc(-c2cc(C(F)F)c3c(C)nn(-c4ccc(F)cc4)c3n2)cn1.
What is the InChIKey of 4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine?
The InChIKey is WZBBMQUPLGMFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5/c1-3-26-10-12(9-23-26)16-8-15(18(21)22)17-11(2)25-27(19(17)24-16)14-6-4-13(20)5-7-14/h4-10,18H,3H2,1-2H3.
What are the key properties of 4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine?
4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine has a molecular weight of 371.37 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29090665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).