3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine

C23H19F2N3O — CID 29090074

IUPAC3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine
SMILESCOc1ccc(-n2nc(C3CC3)c3c(C(F)F)cc(-c4ccccc4)nc32)cc1
InChIInChI=1S/C23H19F2N3O/c1-29-17-11-9-16(10-12-17)28-23-20(21(27-28)15-7-8-15)18(22(24)25)13-19(26-23)14-5-3-2-4-6-14/h2-6,9-13,15,22H,7-8H2,1H3
InChIKeyHYBOFJRWGCBCRE-UHFFFAOYSA-N
MW391.42 g/mol
LogP5.91
Rot. Bonds5

About 3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine

3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine (PubChem CID 29090074) has the molecular formula C23H19F2N3O and a molecular weight of 391.42 g/mol. Its IUPAC name is 3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine
PubChem CID29090074
Molecular FormulaC23H19F2N3O
Molecular Weight391.42 g/mol
Exact Mass391.15
IUPAC Name3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine
SMILESCOc1ccc(-n2nc(C3CC3)c3c(C(F)F)cc(-c4ccccc4)nc32)cc1
InChIInChI=1S/C23H19F2N3O/c1-29-17-11-9-16(10-12-17)28-23-20(21(27-28)15-7-8-15)18(22(24)25)13-19(26-23)14-5-3-2-4-6-14/h2-6,9-13,15,22H,7-8H2,1H3
InChIKeyHYBOFJRWGCBCRE-UHFFFAOYSA-N
XLogP5.91
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.42
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[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-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine?
The IUPAC name of 3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine (CID 29090074) is 3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine is COc1ccc(-n2nc(C3CC3)c3c(C(F)F)cc(-c4ccccc4)nc32)cc1.
What is the InChIKey of 3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine?
The InChIKey is HYBOFJRWGCBCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N3O/c1-29-17-11-9-16(10-12-17)28-23-20(21(27-28)15-7-8-15)18(22(24)25)13-19(26-23)14-5-3-2-4-6-14/h2-6,9-13,15,22H,7-8H2,1H3.
What are the key properties of 3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine?
3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine has a molecular weight of 391.42 g/mol, XLogP of 5.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(difluoromethyl)-1-(4-methoxyphenyl)-6-phenylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29090074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).