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

C25H25F3N4O2 — CID 70982609

IUPAC4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(CC3CCC(C(=O)O)CC3)nc2)c1
InChIInChI=1S/C25H25F3N4O2/c1-15-10-21(31-23(11-15)32-22-13-19(8-9-29-22)25(26,27)28)18-6-7-20(30-14-18)12-16-2-4-17(5-3-16)24(33)34/h6-11,13-14,16-17H,2-5,12H2,1H3,(H,33,34)(H,29,31,32)
InChIKeyZSFCGFNKKSXUKF-UHFFFAOYSA-N
MW470.50 g/mol
LogP6.04
Rot. Bonds6

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

4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexane-1-carboxylic acid (PubChem CID 70982609) has the molecular formula C25H25F3N4O2 and a molecular weight of 470.50 g/mol. Its IUPAC name is 4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexane-1-carboxylic acid
PubChem CID70982609
Molecular FormulaC25H25F3N4O2
Molecular Weight470.50 g/mol
Exact Mass470.19
IUPAC Name4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(CC3CCC(C(=O)O)CC3)nc2)c1
InChIInChI=1S/C25H25F3N4O2/c1-15-10-21(31-23(11-15)32-22-13-19(8-9-29-22)25(26,27)28)18-6-7-20(30-14-18)12-16-2-4-17(5-3-16)24(33)34/h6-11,13-14,16-17H,2-5,12H2,1H3,(H,33,34)(H,29,31,32)
InChIKeyZSFCGFNKKSXUKF-UHFFFAOYSA-N
XLogP6.04
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.50
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]methyl]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 4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexane-1-carboxylic acid (CID 70982609) is 4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexane-1-carboxylic acid is Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(CC3CCC(C(=O)O)CC3)nc2)c1.
What is the InChIKey of 4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is ZSFCGFNKKSXUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O2/c1-15-10-21(31-23(11-15)32-22-13-19(8-9-29-22)25(26,27)28)18-6-7-20(30-14-18)12-16-2-4-17(5-3-16)24(33)34/h6-11,13-14,16-17H,2-5,12H2,1H3,(H,33,34)(H,29,31,32).
What are the key properties of 4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexane-1-carboxylic acid?
4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 470.50 g/mol, XLogP of 6.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 70982609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).