1-[6-[2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]-2-methylphenyl]methoxy]-3-fluorophenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid

C32H31F4N5O4 — CID 59451960

IUPAC1-[6-[2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]-2-methylphenyl]methoxy]-3-fluorophenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESCc1cc(C2CCN(C(=O)N(C)C)CC2)ccc1COc1c(F)cccc1-c1cccc(-n2ncc(C(=O)O)c2C(F)(F)F)n1
InChIInChI=1S/C32H31F4N5O4/c1-19-16-21(20-12-14-40(15-13-20)31(44)39(2)3)10-11-22(19)18-45-28-23(6-4-7-25(28)33)26-8-5-9-27(38-26)41-29(32(34,35)36)24(17-37-41)30(42)43/h4-11,16-17,20H,12-15,18H2,1-3H3,(H,42,43)
InChIKeyWFCZEEVVBJYBPF-UHFFFAOYSA-N
MW625.62 g/mol
LogP6.54
Rot. Bonds7

About 1-[6-[2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]-2-methylphenyl]methoxy]-3-fluorophenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid

1-[6-[2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]-2-methylphenyl]methoxy]-3-fluorophenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid (PubChem CID 59451960) has the molecular formula C32H31F4N5O4 and a molecular weight of 625.62 g/mol. Its IUPAC name is 1-[6-[2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]-2-methylphenyl]methoxy]-3-fluorophenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-[2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]-2-methylphenyl]methoxy]-3-fluorophenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
PubChem CID59451960
Molecular FormulaC32H31F4N5O4
Molecular Weight625.62 g/mol
Exact Mass625.23
IUPAC Name1-[6-[2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]-2-methylphenyl]methoxy]-3-fluorophenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESCc1cc(C2CCN(C(=O)N(C)C)CC2)ccc1COc1c(F)cccc1-c1cccc(-n2ncc(C(=O)O)c2C(F)(F)F)n1
InChIInChI=1S/C32H31F4N5O4/c1-19-16-21(20-12-14-40(15-13-20)31(44)39(2)3)10-11-22(19)18-45-28-23(6-4-7-25(28)33)26-8-5-9-27(38-26)41-29(32(34,35)36)24(17-37-41)30(42)43/h4-11,16-17,20H,12-15,18H2,1-3H3,(H,42,43)
InChIKeyWFCZEEVVBJYBPF-UHFFFAOYSA-N
XLogP6.54
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.62
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[6-[2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]-2-methylphenyl]methoxy]-3-fluorophenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-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 1-[6-[2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]-2-methylphenyl]methoxy]-3-fluorophenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-[6-[2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]-2-methylphenyl]methoxy]-3-fluorophenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid (CID 59451960) is 1-[6-[2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]-2-methylphenyl]methoxy]-3-fluorophenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[6-[2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]-2-methylphenyl]methoxy]-3-fluorophenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[6-[2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]-2-methylphenyl]methoxy]-3-fluorophenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid is Cc1cc(C2CCN(C(=O)N(C)C)CC2)ccc1COc1c(F)cccc1-c1cccc(-n2ncc(C(=O)O)c2C(F)(F)F)n1.
What is the InChIKey of 1-[6-[2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]-2-methylphenyl]methoxy]-3-fluorophenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The InChIKey is WFCZEEVVBJYBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31F4N5O4/c1-19-16-21(20-12-14-40(15-13-20)31(44)39(2)3)10-11-22(19)18-45-28-23(6-4-7-25(28)33)26-8-5-9-27(38-26)41-29(32(34,35)36)24(17-37-41)30(42)43/h4-11,16-17,20H,12-15,18H2,1-3H3,(H,42,43).
What are the key properties of 1-[6-[2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]-2-methylphenyl]methoxy]-3-fluorophenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
1-[6-[2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]-2-methylphenyl]methoxy]-3-fluorophenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid has a molecular weight of 625.62 g/mol, XLogP of 6.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]-2-methylphenyl]methoxy]-3-fluorophenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 59451960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).