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

C32H32F3N5O4 — CID 59452049

IUPAC1-[6-[2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]phenyl]methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESCc1ccc(OCc2ccc(C3CCN(C(=O)N(C)C)CC3)cc2)c(-c2cccc(-n3ncc(C(=O)O)c3C(F)(F)F)n2)c1
InChIInChI=1S/C32H32F3N5O4/c1-20-7-12-27(44-19-21-8-10-22(11-9-21)23-13-15-39(16-14-23)31(43)38(2)3)24(17-20)26-5-4-6-28(37-26)40-29(32(33,34)35)25(18-36-40)30(41)42/h4-12,17-18,23H,13-16,19H2,1-3H3,(H,41,42)
InChIKeyIVPXPQCXGSPEKS-UHFFFAOYSA-N
MW607.63 g/mol
LogP6.40
Rot. Bonds7

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

1-[6-[2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]phenyl]methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid (PubChem CID 59452049) has the molecular formula C32H32F3N5O4 and a molecular weight of 607.63 g/mol. Its IUPAC name is 1-[6-[2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]phenyl]methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[6-[2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]phenyl]methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
PubChem CID59452049
Molecular FormulaC32H32F3N5O4
Molecular Weight607.63 g/mol
Exact Mass607.24
IUPAC Name1-[6-[2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]phenyl]methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
SMILESCc1ccc(OCc2ccc(C3CCN(C(=O)N(C)C)CC3)cc2)c(-c2cccc(-n3ncc(C(=O)O)c3C(F)(F)F)n2)c1
InChIInChI=1S/C32H32F3N5O4/c1-20-7-12-27(44-19-21-8-10-22(11-9-21)23-13-15-39(16-14-23)31(43)38(2)3)24(17-20)26-5-4-6-28(37-26)40-29(32(33,34)35)25(18-36-40)30(41)42/h4-12,17-18,23H,13-16,19H2,1-3H3,(H,41,42)
InChIKeyIVPXPQCXGSPEKS-UHFFFAOYSA-N
XLogP6.40
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.63
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[6-[2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]phenyl]methoxy]-5-methylphenyl]-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]phenyl]methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The IUPAC name of 1-[6-[2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]phenyl]methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid (CID 59452049) is 1-[6-[2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]phenyl]methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[6-[2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]phenyl]methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[6-[2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]phenyl]methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid is Cc1ccc(OCc2ccc(C3CCN(C(=O)N(C)C)CC3)cc2)c(-c2cccc(-n3ncc(C(=O)O)c3C(F)(F)F)n2)c1.
What is the InChIKey of 1-[6-[2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]phenyl]methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
The InChIKey is IVPXPQCXGSPEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32F3N5O4/c1-20-7-12-27(44-19-21-8-10-22(11-9-21)23-13-15-39(16-14-23)31(43)38(2)3)24(17-20)26-5-4-6-28(37-26)40-29(32(33,34)35)25(18-36-40)30(41)42/h4-12,17-18,23H,13-16,19H2,1-3H3,(H,41,42).
What are the key properties of 1-[6-[2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]phenyl]methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid?
1-[6-[2-[[4-[1-(dimethylcarbamoyl)piperidin-4-yl]phenyl]methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid has a molecular weight of 607.63 g/mol, XLogP of 6.40, 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]phenyl]methoxy]-5-methylphenyl]-2-pyridinyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid is sourced from PubChem (CID 59452049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).