4-[[4-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethoxy]cyclohexyl]amino]-2-(trifluoromethyl)benzonitrile

C26H32F3N5O2 — CID 91506391

IUPAC4-[[4-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethoxy]cyclohexyl]amino]-2-(trifluoromethyl)benzonitrile
SMILESCOc1ccc(N2CCN(CCOC3CCC(Nc4ccc(C#N)c(C(F)(F)F)c4)CC3)CC2)cn1
InChIInChI=1S/C26H32F3N5O2/c1-35-25-9-6-22(18-31-25)34-12-10-33(11-13-34)14-15-36-23-7-4-20(5-8-23)32-21-3-2-19(17-30)24(16-21)26(27,28)29/h2-3,6,9,16,18,20,23,32H,4-5,7-8,10-15H2,1H3
InChIKeyFTRAZYRLQIJKLM-UHFFFAOYSA-N
MW503.57 g/mol
LogP4.54
Rot. Bonds8

About 4-[[4-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethoxy]cyclohexyl]amino]-2-(trifluoromethyl)benzonitrile

4-[[4-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethoxy]cyclohexyl]amino]-2-(trifluoromethyl)benzonitrile (PubChem CID 91506391) has the molecular formula C26H32F3N5O2 and a molecular weight of 503.57 g/mol. Its IUPAC name is 4-[[4-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethoxy]cyclohexyl]amino]-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-[[4-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethoxy]cyclohexyl]amino]-2-(trifluoromethyl)benzonitrile
PubChem CID91506391
Molecular FormulaC26H32F3N5O2
Molecular Weight503.57 g/mol
Exact Mass503.25
IUPAC Name4-[[4-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethoxy]cyclohexyl]amino]-2-(trifluoromethyl)benzonitrile
SMILESCOc1ccc(N2CCN(CCOC3CCC(Nc4ccc(C#N)c(C(F)(F)F)c4)CC3)CC2)cn1
InChIInChI=1S/C26H32F3N5O2/c1-35-25-9-6-22(18-31-25)34-12-10-33(11-13-34)14-15-36-23-7-4-20(5-8-23)32-21-3-2-19(17-30)24(16-21)26(27,28)29/h2-3,6,9,16,18,20,23,32H,4-5,7-8,10-15H2,1H3
InChIKeyFTRAZYRLQIJKLM-UHFFFAOYSA-N
XLogP4.54
TPSA73.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.57
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[4-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethoxy]cyclohexyl]amino]-2-(trifluoromethyl)benzonitrile 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-[[4-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethoxy]cyclohexyl]amino]-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-[[4-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethoxy]cyclohexyl]amino]-2-(trifluoromethyl)benzonitrile (CID 91506391) is 4-[[4-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethoxy]cyclohexyl]amino]-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-[[4-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethoxy]cyclohexyl]amino]-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-[[4-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethoxy]cyclohexyl]amino]-2-(trifluoromethyl)benzonitrile is COc1ccc(N2CCN(CCOC3CCC(Nc4ccc(C#N)c(C(F)(F)F)c4)CC3)CC2)cn1.
What is the InChIKey of 4-[[4-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethoxy]cyclohexyl]amino]-2-(trifluoromethyl)benzonitrile?
The InChIKey is FTRAZYRLQIJKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F3N5O2/c1-35-25-9-6-22(18-31-25)34-12-10-33(11-13-34)14-15-36-23-7-4-20(5-8-23)32-21-3-2-19(17-30)24(16-21)26(27,28)29/h2-3,6,9,16,18,20,23,32H,4-5,7-8,10-15H2,1H3.
What are the key properties of 4-[[4-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethoxy]cyclohexyl]amino]-2-(trifluoromethyl)benzonitrile?
4-[[4-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethoxy]cyclohexyl]amino]-2-(trifluoromethyl)benzonitrile has a molecular weight of 503.57 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[2-[4-(6-methoxy-3-pyridinyl)piperazin-1-yl]ethoxy]cyclohexyl]amino]-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 91506391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).