methyl 4-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-methylbenzoate

C22H17FN4O3 — CID 54589193

IUPACmethyl 4-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C22H17FN4O3/c1-13-9-14(22(29)30-2)3-8-19(13)26-21(28)18-10-24-12-20-17(18)11-25-27(20)16-6-4-15(23)5-7-16/h3-12H,1-2H3,(H,26,28)
InChIKeyIELUFYZIWCHJLM-UHFFFAOYSA-N
MW404.40 g/mol
LogP3.91
Rot. Bonds4

About methyl 4-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-methylbenzoate

methyl 4-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-methylbenzoate (PubChem CID 54589193) has the molecular formula C22H17FN4O3 and a molecular weight of 404.40 g/mol. Its IUPAC name is methyl 4-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-methylbenzoate
PubChem CID54589193
Molecular FormulaC22H17FN4O3
Molecular Weight404.40 g/mol
Exact Mass404.13
IUPAC Namemethyl 4-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-methylbenzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)c(C)c1
InChIInChI=1S/C22H17FN4O3/c1-13-9-14(22(29)30-2)3-8-19(13)26-21(28)18-10-24-12-20-17(18)11-25-27(20)16-6-4-15(23)5-7-16/h3-12H,1-2H3,(H,26,28)
InChIKeyIELUFYZIWCHJLM-UHFFFAOYSA-N
XLogP3.91
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-methylbenzoate 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 methyl 4-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-methylbenzoate?
The IUPAC name of methyl 4-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-methylbenzoate (CID 54589193) is methyl 4-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-methylbenzoate.
What is the SMILES notation for methyl 4-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-methylbenzoate?
The canonical SMILES for methyl 4-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-methylbenzoate is COC(=O)c1ccc(NC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)c(C)c1.
What is the InChIKey of methyl 4-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-methylbenzoate?
The InChIKey is IELUFYZIWCHJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O3/c1-13-9-14(22(29)30-2)3-8-19(13)26-21(28)18-10-24-12-20-17(18)11-25-27(20)16-6-4-15(23)5-7-16/h3-12H,1-2H3,(H,26,28).
What are the key properties of methyl 4-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-methylbenzoate?
methyl 4-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-methylbenzoate has a molecular weight of 404.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(4-fluorophenyl)pyrazolo[5,4-c]pyridine-4-carbonyl]amino]-3-methylbenzoate is sourced from PubChem (CID 54589193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).