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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Related Compounds

Ethyl 2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 9551527
Methyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 771929
3-phenyl-6-[4-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 16018596
1-(4-Fluorophenyl)-3-isopropyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 25247546
Methyl 4-(2-cyclopropyl-8-methoxy[1,2,4]triazolo[1,5-a]pyridin-5-yl)benzoate
CID 46834388
2-[5-Methyl-7-(4-methylphenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 68053199
Methyl 2-[5-cyano-6-(4-ethylphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridin-4-yl]benzoate
CID 156207589
methyl 3,6-dimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylate
CID 17025734
6-Ethyl-1-(4-fluorophenyl)-3-pentan-3-yl-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 146036004
2-(2-Methyl-4-p-tolylpyrimido[1,2-b]indazol-3-yl)pentanoic acid
CID 69673524
Methyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 753813
Ethyl 6-(4-chlorophenyl)-1-(2-cyanoethyl)-3-methylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 2088731

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).