4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzoic acid

C24H26N4O3 — CID 46938237

IUPAC4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzoic acid
SMILESCCOc1cc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C3CCCC3)C2)ccc1C(=O)O
InChIInChI=1S/C24H26N4O3/c1-3-31-22-12-17(8-10-19(22)24(29)30)20-13-21(16-6-4-5-7-16)28(27-20)23-11-9-18(14-25)15(2)26-23/h8-12,16,21H,3-7,13H2,1-2H3,(H,29,30)/t21-/m1/s1
InChIKeyXZRHHXUYPBMSHY-OAQYLSRUSA-N
MW418.50 g/mol
LogP4.53
Rot. Bonds6

About 4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzoic acid

4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzoic acid (PubChem CID 46938237) has the molecular formula C24H26N4O3 and a molecular weight of 418.50 g/mol. Its IUPAC name is 4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzoic acid.

Molecular Properties

Compound Name4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzoic acid
PubChem CID46938237
Molecular FormulaC24H26N4O3
Molecular Weight418.50 g/mol
Exact Mass418.20
IUPAC Name4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzoic acid
SMILESCCOc1cc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C3CCCC3)C2)ccc1C(=O)O
InChIInChI=1S/C24H26N4O3/c1-3-31-22-12-17(8-10-19(22)24(29)30)20-13-21(16-6-4-5-7-16)28(27-20)23-11-9-18(14-25)15(2)26-23/h8-12,16,21H,3-7,13H2,1-2H3,(H,29,30)/t21-/m1/s1
InChIKeyXZRHHXUYPBMSHY-OAQYLSRUSA-N
XLogP4.53
TPSA98.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzoic 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 4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzoic acid?
The IUPAC name of 4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzoic acid (CID 46938237) is 4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzoic acid.
What is the SMILES notation for 4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzoic acid?
The canonical SMILES for 4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzoic acid is CCOc1cc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C3CCCC3)C2)ccc1C(=O)O.
What is the InChIKey of 4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzoic acid?
The InChIKey is XZRHHXUYPBMSHY-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H26N4O3/c1-3-31-22-12-17(8-10-19(22)24(29)30)20-13-21(16-6-4-5-7-16)28(27-20)23-11-9-18(14-25)15(2)26-23/h8-12,16,21H,3-7,13H2,1-2H3,(H,29,30)/t21-/m1/s1.
What are the key properties of 4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzoic acid?
4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzoic acid has a molecular weight of 418.50 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-2-(5-cyano-6-methyl-2-pyridinyl)-3-cyclopentyl-3,4-dihydropyrazol-5-yl]-2-ethoxybenzoic acid is sourced from PubChem (CID 46938237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).