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

C92H120N8O8 — CID 157306821

IUPACbis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-(4-methyl-2-pyridinyl)cyclohexyl]pentan-1-one);bis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-(4-methyl-2-pyridinyl)cyclohexyl]pentan-1-one)
SMILESCC[C@@H](CC(=O)c1ccc(OC)nc1)C1CCC(c2cc(C)ccn2)CC1.CC[C@@H](CC(=O)c1ccc(OC)nc1)C1CCC(c2cc(C)ccn2)CC1.CC[C@H](CC(=O)c1ccc(OC)nc1)C1CCC(c2cc(C)ccn2)CC1.CC[C@H](CC(=O)c1ccc(OC)nc1)C1CCC(c2cc(C)ccn2)CC1
InChIInChI=1S/4C23H30N2O2/c4*1-4-17(14-22(26)20-9-10-23(27-3)25-15-20)18-5-7-19(8-6-18)21-13-16(2)11-12-24-21/h4*9-13,15,17-19H,4-8,14H2,1-3H3/t4*17-,18?,19?/m1100/s1
InChIKeyBCORCBYPIFPJEM-PTSFQFJXSA-N
MW1466.02 g/mol
LogP21.47
Rot. Bonds28

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

bis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-(4-methyl-2-pyridinyl)cyclohexyl]pentan-1-one);bis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-(4-methyl-2-pyridinyl)cyclohexyl]pentan-1-one) (PubChem CID 157306821) has the molecular formula C92H120N8O8 and a molecular weight of 1466.02 g/mol. Its IUPAC name is bis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-(4-methyl-2-pyridinyl)cyclohexyl]pentan-1-one);bis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-(4-methyl-2-pyridinyl)cyclohexyl]pentan-1-one).

Molecular Properties

Compound Namebis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-(4-methyl-2-pyridinyl)cyclohexyl]pentan-1-one);bis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-(4-methyl-2-pyridinyl)cyclohexyl]pentan-1-one)
PubChem CID157306821
Molecular FormulaC92H120N8O8
Molecular Weight1466.02 g/mol
Exact Mass1464.92
IUPAC Namebis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-(4-methyl-2-pyridinyl)cyclohexyl]pentan-1-one);bis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-(4-methyl-2-pyridinyl)cyclohexyl]pentan-1-one)
SMILESCC[C@@H](CC(=O)c1ccc(OC)nc1)C1CCC(c2cc(C)ccn2)CC1.CC[C@@H](CC(=O)c1ccc(OC)nc1)C1CCC(c2cc(C)ccn2)CC1.CC[C@H](CC(=O)c1ccc(OC)nc1)C1CCC(c2cc(C)ccn2)CC1.CC[C@H](CC(=O)c1ccc(OC)nc1)C1CCC(c2cc(C)ccn2)CC1
InChIInChI=1S/4C23H30N2O2/c4*1-4-17(14-22(26)20-9-10-23(27-3)25-15-20)18-5-7-19(8-6-18)21-13-16(2)11-12-24-21/h4*9-13,15,17-19H,4-8,14H2,1-3H3/t4*17-,18?,19?/m1100/s1
InChIKeyBCORCBYPIFPJEM-PTSFQFJXSA-N
XLogP21.47
TPSA208.32 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds28
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001466.02
LogP ≤ 521.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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

1,4-Bis((1S)-(6-methoxyquinolin-4-yl)(5-vinylquinuclidin-2-yl)methyl)anthracene-9,10-dione
CID 70700858
1,4-Bis[(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl]anthracene-9,10-dione
CID 77896185
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
(3S)-3-(3-fluoro-2-pyridinyl)-1-(6-methoxy-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 147028485
1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(E)-1-(6-methoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]ethanone
CID 147750299
1-(5-Fluoro-4-methyl-3-pyridinyl)-2-[5-[1-(6-methoxy-3-pyridinyl)propyl]-2-pyridinyl]ethanone
CID 148469647
2-[5-[(E)-1-(6-ethoxy-3-pyridinyl)prop-1-enyl]-2-pyridinyl]-1-(5-fluoro-4-methyl-3-pyridinyl)ethanone
CID 149284964
(3S)-3-(4-fluorophenyl)-1-(6-methoxy-3-pyridinyl)-3-[3-(trifluoromethyl)-2-pyridinyl]propan-1-one
CID 152840733
1-(5-Fluoro-4-methyl-3-pyridinyl)-2-[5-[1-(6-methoxy-3-pyridinyl)-2-methylprop-1-enyl]-2-pyridinyl]ethanone
CID 157194648
1-[4-[5-[2-[[(5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazol-3-yl]methyl]-6-methoxy-3-pyridinyl]-6-methoxy-3-pyridinyl]-3-methylphenyl]ethanone;1-[4-[5-[2-[[(4R,5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)phenyl]-6-methoxy-3-pyridinyl]-3,5-dimethylphenyl]ethanone;1-[4-[5-[2-[[(4R,5S)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-4,5-dihydro-1,2-oxazol-3-yl]methyl]-4-(trifluoromethyl)phenyl]-6-methoxy-3-pyridinyl]-3-methylphenyl]ethanone;methane
CID 157248733
3-(3-Fluoro-2-pyridinyl)-1-(6-methoxy-3-pyridinyl)-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 157258034
1-(5-fluoro-4-methyl-3-pyridinyl)-2-[5-[(Z)-1-(4-methoxyphenyl)prop-1-enyl]-2-pyridinyl]ethanone
CID 157526344

Frequently Asked Questions

What is the IUPAC name of bis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-(4-methyl-2-pyridinyl)cyclohexyl]pentan-1-one);bis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-(4-methyl-2-pyridinyl)cyclohexyl]pentan-1-one)?
The IUPAC name of bis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-(4-methyl-2-pyridinyl)cyclohexyl]pentan-1-one);bis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-(4-methyl-2-pyridinyl)cyclohexyl]pentan-1-one) (CID 157306821) is bis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-(4-methyl-2-pyridinyl)cyclohexyl]pentan-1-one);bis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-(4-methyl-2-pyridinyl)cyclohexyl]pentan-1-one).
What is the SMILES notation for bis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-(4-methyl-2-pyridinyl)cyclohexyl]pentan-1-one);bis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-(4-methyl-2-pyridinyl)cyclohexyl]pentan-1-one)?
The canonical SMILES for bis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-(4-methyl-2-pyridinyl)cyclohexyl]pentan-1-one);bis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-(4-methyl-2-pyridinyl)cyclohexyl]pentan-1-one) is CC[C@@H](CC(=O)c1ccc(OC)nc1)C1CCC(c2cc(C)ccn2)CC1.CC[C@@H](CC(=O)c1ccc(OC)nc1)C1CCC(c2cc(C)ccn2)CC1.CC[C@H](CC(=O)c1ccc(OC)nc1)C1CCC(c2cc(C)ccn2)CC1.CC[C@H](CC(=O)c1ccc(OC)nc1)C1CCC(c2cc(C)ccn2)CC1.
What is the InChIKey of bis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-(4-methyl-2-pyridinyl)cyclohexyl]pentan-1-one);bis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-(4-methyl-2-pyridinyl)cyclohexyl]pentan-1-one)?
The InChIKey is BCORCBYPIFPJEM-PTSFQFJXSA-N. The full InChI is InChI=1S/4C23H30N2O2/c4*1-4-17(14-22(26)20-9-10-23(27-3)25-15-20)18-5-7-19(8-6-18)21-13-16(2)11-12-24-21/h4*9-13,15,17-19H,4-8,14H2,1-3H3/t4*17-,18?,19?/m1100/s1.
What are the key properties of bis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-(4-methyl-2-pyridinyl)cyclohexyl]pentan-1-one);bis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-(4-methyl-2-pyridinyl)cyclohexyl]pentan-1-one)?
bis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-(4-methyl-2-pyridinyl)cyclohexyl]pentan-1-one);bis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-(4-methyl-2-pyridinyl)cyclohexyl]pentan-1-one) has a molecular weight of 1466.02 g/mol, XLogP of 21.47, 28 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for bis((3S)-1-(6-methoxy-3-pyridinyl)-3-[4-(4-methyl-2-pyridinyl)cyclohexyl]pentan-1-one);bis((3R)-1-(6-methoxy-3-pyridinyl)-3-[4-(4-methyl-2-pyridinyl)cyclohexyl]pentan-1-one) is sourced from PubChem (CID 157306821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).