2-[4-[[5-amino-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone

C24H30F3N5O2 — CID 143820508

IUPAC2-[4-[[5-amino-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
SMILESNc1cnc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F
InChIInChI=1S/C24H30F3N5O2/c25-24(26,27)20-14-22(29-15-21(20)28)30-17-6-8-19(9-7-17)34-16-23(33)32-12-10-31(11-13-32)18-4-2-1-3-5-18/h1-5,14-15,17,19H,6-13,16,28H2,(H,29,30)
InChIKeyXOBMDOMRFSDGJW-UHFFFAOYSA-N
MW477.53 g/mol
LogP3.77
Rot. Bonds6

About 2-[4-[[5-amino-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone

2-[4-[[5-amino-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 143820508) has the molecular formula C24H30F3N5O2 and a molecular weight of 477.53 g/mol. Its IUPAC name is 2-[4-[[5-amino-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-[[5-amino-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID143820508
Molecular FormulaC24H30F3N5O2
Molecular Weight477.53 g/mol
Exact Mass477.24
IUPAC Name2-[4-[[5-amino-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
SMILESNc1cnc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F
InChIInChI=1S/C24H30F3N5O2/c25-24(26,27)20-14-22(29-15-21(20)28)30-17-6-8-19(9-7-17)34-16-23(33)32-12-10-31(11-13-32)18-4-2-1-3-5-18/h1-5,14-15,17,19H,6-13,16,28H2,(H,29,30)
InChIKeyXOBMDOMRFSDGJW-UHFFFAOYSA-N
XLogP3.77
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[5-amino-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

(3r,4r)-3-(Cyclohexylmethoxy)piperidin-4-Yl]amino}-3-Methyl-1,2-Dihydro-1,7-Naphthyridin-2-One
CID 91826677
[2-(Benzylamino)-2-oxoethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 9104642
[1-[(2-Methylcyclohexyl)amino]-1-oxopropan-2-yl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 25162566
US10442819, Example 472
CID 132255514
US10442819, Example 482
CID 132268529
US11008301, Example 54
CID 142493481
US11008301, Example 104
CID 156193342
[2-(2,5-Difluoroanilino)-2-oxoethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 16288326
[2-Oxo-2-(1-phenylethylamino)ethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 45353519
[2-[4-[Ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 16279274
[2-[4-(Diethylamino)anilino]-2-oxoethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 16279276
[2-(3-Fluoroanilino)-2-oxoethyl] 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate
CID 16285161

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-amino-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-[[5-amino-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone (CID 143820508) is 2-[4-[[5-amino-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-[[5-amino-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-[[5-amino-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone is Nc1cnc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F.
What is the InChIKey of 2-[4-[[5-amino-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is XOBMDOMRFSDGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N5O2/c25-24(26,27)20-14-22(29-15-21(20)28)30-17-6-8-19(9-7-17)34-16-23(33)32-12-10-31(11-13-32)18-4-2-1-3-5-18/h1-5,14-15,17,19H,6-13,16,28H2,(H,29,30).
What are the key properties of 2-[4-[[5-amino-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone?
2-[4-[[5-amino-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 477.53 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-amino-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 143820508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).