bis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);bis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one)

C92H108F12N8O8 — CID 162179986

IUPACbis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);bis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one)
SMILESCCC(CC(=O)c1ccc(OC)nc1)C1CCC(c2cc(C(F)(F)F)ccn2)CC1.CCC(CC(=O)c1ccc(OC)nc1)C1CCC(c2cc(C(F)(F)F)ccn2)CC1.CC[C@@H](CC(=O)c1ccc(OC)nc1)C1CCC(c2cc(C(F)(F)F)ccn2)CC1.CC[C@H](CC(=O)c1ccc(OC)nc1)C1CCC(c2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/4C23H27F3N2O2/c4*1-3-15(12-21(29)18-8-9-22(30-2)28-14-18)16-4-6-17(7-5-16)20-13-19(10-11-27-20)23(24,25)26/h4*8-11,13-17H,3-7,12H2,1-2H3/t2*15-,16?,17?;;/m10../s1
InChIKeyZOWUYSACGOLCRV-PGAUAJFXSA-N
MW1681.90 g/mol
LogP24.31
Rot. Bonds28

About bis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);bis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one)

bis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);bis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one) (PubChem CID 162179986) has the molecular formula C92H108F12N8O8 and a molecular weight of 1681.90 g/mol. Its IUPAC name is bis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);bis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one).

Molecular Properties

Compound Namebis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);bis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one)
PubChem CID162179986
Molecular FormulaC92H108F12N8O8
Molecular Weight1681.90 g/mol
Exact Mass1680.81
IUPAC Namebis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);bis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one)
SMILESCCC(CC(=O)c1ccc(OC)nc1)C1CCC(c2cc(C(F)(F)F)ccn2)CC1.CCC(CC(=O)c1ccc(OC)nc1)C1CCC(c2cc(C(F)(F)F)ccn2)CC1.CC[C@@H](CC(=O)c1ccc(OC)nc1)C1CCC(c2cc(C(F)(F)F)ccn2)CC1.CC[C@H](CC(=O)c1ccc(OC)nc1)C1CCC(c2cc(C(F)(F)F)ccn2)CC1
InChIInChI=1S/4C23H27F3N2O2/c4*1-3-15(12-21(29)18-8-9-22(30-2)28-14-18)16-4-6-17(7-5-16)20-13-19(10-11-27-20)23(24,25)26/h4*8-11,13-17H,3-7,12H2,1-2H3/t2*15-,16?,17?;;/m10../s1
InChIKeyZOWUYSACGOLCRV-PGAUAJFXSA-N
XLogP24.31
TPSA208.32 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001681.90
LogP ≤ 524.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze bis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);bis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one) with MolForge

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Launch Full Analysis

Related Compounds

2-[(3R)-3-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 58073140
2-[(3S)-3-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 58073323
2-[3-Fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 76687285
5-(4-Fluoro-2-pyridinyl)-6-[2-[2-[4-methoxy-5-(3-methyl-2-pyridinyl)-3-(4-methyl-2-pyridinyl)-2-pyridinyl]-5-methyl-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-3-carboxamide
CID 123233826
5-Ethyl-2-fluoro-3-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine;6-methoxy-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-3-carbaldehyde
CID 123768225
(3S)-1-(2-methoxy-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 146966416
(3S)-3-(3-fluoro-2-pyridinyl)-1-(6-methoxy-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 147028485
2-[(3R)-3-fluoro-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 147611885
1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]ethanone
CID 147750299
1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]-2-[(3R)-3-methyl-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]ethanone
CID 148270005
2-[(3R,4S)-3-fluoro-1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]-1-[6-[4-(4-methoxybenzoyl)piperidine-1-carbonyl]-3-pyridinyl]ethanone
CID 148369615
1-(5-Fluoro-4-methyl-3-pyridinyl)-2-[5-[1-(6-methoxy-3-pyridinyl)propyl]-2-pyridinyl]ethanone
CID 148469647

Frequently Asked Questions

What is the IUPAC name of bis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);bis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one)?
The IUPAC name of bis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);bis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one) (CID 162179986) is bis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);bis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one).
What is the SMILES notation for bis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);bis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one)?
The canonical SMILES for bis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);bis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one) is CCC(CC(=O)c1ccc(OC)nc1)C1CCC(c2cc(C(F)(F)F)ccn2)CC1.CCC(CC(=O)c1ccc(OC)nc1)C1CCC(c2cc(C(F)(F)F)ccn2)CC1.CC[C@@H](CC(=O)c1ccc(OC)nc1)C1CCC(c2cc(C(F)(F)F)ccn2)CC1.CC[C@H](CC(=O)c1ccc(OC)nc1)C1CCC(c2cc(C(F)(F)F)ccn2)CC1.
What is the InChIKey of bis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);bis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one)?
The InChIKey is ZOWUYSACGOLCRV-PGAUAJFXSA-N. The full InChI is InChI=1S/4C23H27F3N2O2/c4*1-3-15(12-21(29)18-8-9-22(30-2)28-14-18)16-4-6-17(7-5-16)20-13-19(10-11-27-20)23(24,25)26/h4*8-11,13-17H,3-7,12H2,1-2H3/t2*15-,16?,17?;;/m10../s1.
What are the key properties of bis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);bis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one)?
bis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);bis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one) has a molecular weight of 1681.90 g/mol, XLogP of 24.31, 28 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one);bis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-[4-(trifluoromethyl)-2-pyridinyl]cyclohexyl]pentan-1-one) is sourced from PubChem (CID 162179986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).