3-[6-amino-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide

C23H26F3N5O3S — CID 118470304

IUPAC3-[6-amino-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCC(O)CC2)cc1-c1cnc(N)c(-c2cnn(CC(F)(F)F)c2)c1
InChIInChI=1S/C23H26F3N5O3S/c1-14-2-7-19(35(33,34)30-17-3-5-18(32)6-4-17)9-20(14)15-8-21(22(27)28-10-15)16-11-29-31(12-16)13-23(24,25)26/h2,7-12,17-18,30,32H,3-6,13H2,1H3,(H2,27,28)
InChIKeyRCBNWWLBZCYILT-UHFFFAOYSA-N
MW509.55 g/mol
LogP3.65
Rot. Bonds6

About 3-[6-amino-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide

3-[6-amino-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide (PubChem CID 118470304) has the molecular formula C23H26F3N5O3S and a molecular weight of 509.55 g/mol. Its IUPAC name is 3-[6-amino-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[6-amino-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide
PubChem CID118470304
Molecular FormulaC23H26F3N5O3S
Molecular Weight509.55 g/mol
Exact Mass509.17
IUPAC Name3-[6-amino-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2CCC(O)CC2)cc1-c1cnc(N)c(-c2cnn(CC(F)(F)F)c2)c1
InChIInChI=1S/C23H26F3N5O3S/c1-14-2-7-19(35(33,34)30-17-3-5-18(32)6-4-17)9-20(14)15-8-21(22(27)28-10-15)16-11-29-31(12-16)13-23(24,25)26/h2,7-12,17-18,30,32H,3-6,13H2,1H3,(H2,27,28)
InChIKeyRCBNWWLBZCYILT-UHFFFAOYSA-N
XLogP3.65
TPSA123.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.55
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-[6-amino-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10112926, Example 60
CID 118470060
US10112926, Example 61
CID 118470391
N-[1-[4-(1-methylpyrazol-4-yl)phenyl]sulfonylpiperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 145974778
3-[6-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 164609660
3-[6-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-(2-hydroxy-2-methylpropyl)-4-methylbenzenesulfonamide
CID 164617956
US10112926, Example 3
CID 118470093
US10112926, Example 34
CID 118470187
US10112926, Example 1
CID 118470282
US10479795, Example 76
CID 132260423
US10479795, Example 80
CID 132260833
N-butyl-4-[6-(butylamino)-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]benzenesulfonamide
CID 68212413
4-[6-(butylamino)-1-(4-hydroxycyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]-N-propan-2-ylbenzenesulfonamide
CID 68212426

Frequently Asked Questions

What is the IUPAC name of 3-[6-amino-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-[6-amino-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide (CID 118470304) is 3-[6-amino-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-[6-amino-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-[6-amino-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2CCC(O)CC2)cc1-c1cnc(N)c(-c2cnn(CC(F)(F)F)c2)c1.
What is the InChIKey of 3-[6-amino-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide?
The InChIKey is RCBNWWLBZCYILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5O3S/c1-14-2-7-19(35(33,34)30-17-3-5-18(32)6-4-17)9-20(14)15-8-21(22(27)28-10-15)16-11-29-31(12-16)13-23(24,25)26/h2,7-12,17-18,30,32H,3-6,13H2,1H3,(H2,27,28).
What are the key properties of 3-[6-amino-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide?
3-[6-amino-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide has a molecular weight of 509.55 g/mol, XLogP of 3.65, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3-pyridinyl]-N-(4-hydroxycyclohexyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 118470304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).