2-methyl-4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid

C25H26F3N5O2 — CID 119098924

IUPAC2-methyl-4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCC(C(=O)O)C(C)C3)nc2)c1
InChIInChI=1S/C25H26F3N5O2/c1-14-9-20(32-23(10-14)33-22-12-17(7-8-29-22)25(26,27)28)16-3-6-21(30-13-16)31-18-4-5-19(24(34)35)15(2)11-18/h3,6-10,12-13,15,18-19H,4-5,11H2,1-2H3,(H,30,31)(H,34,35)(H,29,32,33)
InChIKeyWYJHADPAZIOCPZ-UHFFFAOYSA-N
MW485.51 g/mol
LogP5.91
Rot. Bonds6

About 2-methyl-4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid

2-methyl-4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 119098924) has the molecular formula C25H26F3N5O2 and a molecular weight of 485.51 g/mol. Its IUPAC name is 2-methyl-4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
PubChem CID119098924
Molecular FormulaC25H26F3N5O2
Molecular Weight485.51 g/mol
Exact Mass485.20
IUPAC Name2-methyl-4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCC(C(=O)O)C(C)C3)nc2)c1
InChIInChI=1S/C25H26F3N5O2/c1-14-9-20(32-23(10-14)33-22-12-17(7-8-29-22)25(26,27)28)16-3-6-21(30-13-16)31-18-4-5-19(24(34)35)15(2)11-18/h3,6-10,12-13,15,18-19H,4-5,11H2,1-2H3,(H,30,31)(H,34,35)(H,29,32,33)
InChIKeyWYJHADPAZIOCPZ-UHFFFAOYSA-N
XLogP5.91
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.51
LogP ≤ 55.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexane-1-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-methyl-4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid (CID 119098924) is 2-methyl-4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCC(C(=O)O)C(C)C3)nc2)c1.
What is the InChIKey of 2-methyl-4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is WYJHADPAZIOCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O2/c1-14-9-20(32-23(10-14)33-22-12-17(7-8-29-22)25(26,27)28)16-3-6-21(30-13-16)31-18-4-5-19(24(34)35)15(2)11-18/h3,6-10,12-13,15,18-19H,4-5,11H2,1-2H3,(H,30,31)(H,34,35)(H,29,32,33).
What are the key properties of 2-methyl-4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid?
2-methyl-4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 485.51 g/mol, XLogP of 5.91, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 119098924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).