2-[[5-methyl-6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid

C23H19F3N4O2 — CID 142771158

IUPAC2-[[5-methyl-6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid
SMILESCc1cc(Cn2nc3ccnc(C(=O)O)c3c2-c2ccccc2)cnc1CCC(F)(F)F
InChIInChI=1S/C23H19F3N4O2/c1-14-11-15(12-28-17(14)7-9-23(24,25)26)13-30-21(16-5-3-2-4-6-16)19-18(29-30)8-10-27-20(19)22(31)32/h2-6,8,10-12H,7,9,13H2,1H3,(H,31,32)
InChIKeyYQFJKYBHJACFFW-UHFFFAOYSA-N
MW440.43 g/mol
LogP5.04
Rot. Bonds6

About 2-[[5-methyl-6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid

2-[[5-methyl-6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid (PubChem CID 142771158) has the molecular formula C23H19F3N4O2 and a molecular weight of 440.43 g/mol. Its IUPAC name is 2-[[5-methyl-6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[5-methyl-6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid
PubChem CID142771158
Molecular FormulaC23H19F3N4O2
Molecular Weight440.43 g/mol
Exact Mass440.15
IUPAC Name2-[[5-methyl-6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid
SMILESCc1cc(Cn2nc3ccnc(C(=O)O)c3c2-c2ccccc2)cnc1CCC(F)(F)F
InChIInChI=1S/C23H19F3N4O2/c1-14-11-15(12-28-17(14)7-9-23(24,25)26)13-30-21(16-5-3-2-4-6-16)19-18(29-30)8-10-27-20(19)22(31)32/h2-6,8,10-12H,7,9,13H2,1H3,(H,31,32)
InChIKeyYQFJKYBHJACFFW-UHFFFAOYSA-N
XLogP5.04
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.43
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[5-methyl-6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid 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 2-[[5-methyl-6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[5-methyl-6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid (CID 142771158) is 2-[[5-methyl-6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[5-methyl-6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[5-methyl-6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid is Cc1cc(Cn2nc3ccnc(C(=O)O)c3c2-c2ccccc2)cnc1CCC(F)(F)F.
What is the InChIKey of 2-[[5-methyl-6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid?
The InChIKey is YQFJKYBHJACFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O2/c1-14-11-15(12-28-17(14)7-9-23(24,25)26)13-30-21(16-5-3-2-4-6-16)19-18(29-30)8-10-27-20(19)22(31)32/h2-6,8,10-12H,7,9,13H2,1H3,(H,31,32).
What are the key properties of 2-[[5-methyl-6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid?
2-[[5-methyl-6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid has a molecular weight of 440.43 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-6-(3,3,3-trifluoropropyl)-3-pyridinyl]methyl]-3-phenylpyrazolo[4,3-c]pyridine-4-carboxylic acid is sourced from PubChem (CID 142771158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).