methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylate

C24H20FN3O2 — CID 25247525

IUPACmethyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C1CC1)nn2-c1ccc(F)cc1
InChIInChI=1S/C24H20FN3O2/c1-14-3-5-15(6-4-14)20-13-19(24(29)30-2)21-22(16-7-8-16)27-28(23(21)26-20)18-11-9-17(25)10-12-18/h3-6,9-13,16H,7-8H2,1-2H3
InChIKeyBEMYQSPUCMTIHN-UHFFFAOYSA-N
MW401.44 g/mol
LogP5.20
Rot. Bonds4

About methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylate

methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 25247525) has the molecular formula C24H20FN3O2 and a molecular weight of 401.44 g/mol. Its IUPAC name is methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID25247525
Molecular FormulaC24H20FN3O2
Molecular Weight401.44 g/mol
Exact Mass401.15
IUPAC Namemethyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C1CC1)nn2-c1ccc(F)cc1
InChIInChI=1S/C24H20FN3O2/c1-14-3-5-15(6-4-14)20-13-19(24(29)30-2)21-22(16-7-8-16)27-28(23(21)26-20)18-11-9-17(25)10-12-18/h3-6,9-13,16H,7-8H2,1-2H3
InChIKeyBEMYQSPUCMTIHN-UHFFFAOYSA-N
XLogP5.20
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.44
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylate (CID 25247525) is methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylate is COC(=O)c1cc(-c2ccc(C)cc2)nc2c1c(C1CC1)nn2-c1ccc(F)cc1.
What is the InChIKey of methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is BEMYQSPUCMTIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O2/c1-14-3-5-15(6-4-14)20-13-19(24(29)30-2)21-22(16-7-8-16)27-28(23(21)26-20)18-11-9-17(25)10-12-18/h3-6,9-13,16H,7-8H2,1-2H3.
What are the key properties of methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylate?
methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 401.44 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopropyl-1-(4-fluorophenyl)-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 25247525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).