methyl 6-(2,3-dichlorophenyl)sulfanyl-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate

C31H36Cl2N4O6S — CID 138735087

IUPACmethyl 6-(2,3-dichlorophenyl)sulfanyl-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Sc2cccc(Cl)c2Cl)c(OCc2ccc(OC)cc2)nc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C31H36Cl2N4O6S/c1-30(2,3)43-29(39)36-31(4)14-16-37(17-15-31)25-24(28(38)41-6)34-27(44-22-9-7-8-21(32)23(22)33)26(35-25)42-18-19-10-12-20(40-5)13-11-19/h7-13H,14-18H2,1-6H3,(H,36,39)
InChIKeyWMNSMXTWBDESES-UHFFFAOYSA-N
MW663.62 g/mol
LogP7.19
Rot. Bonds9

About methyl 6-(2,3-dichlorophenyl)sulfanyl-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate

methyl 6-(2,3-dichlorophenyl)sulfanyl-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate (PubChem CID 138735087) has the molecular formula C31H36Cl2N4O6S and a molecular weight of 663.62 g/mol. Its IUPAC name is methyl 6-(2,3-dichlorophenyl)sulfanyl-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,3-dichlorophenyl)sulfanyl-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate
PubChem CID138735087
Molecular FormulaC31H36Cl2N4O6S
Molecular Weight663.62 g/mol
Exact Mass662.17
IUPAC Namemethyl 6-(2,3-dichlorophenyl)sulfanyl-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate
SMILESCOC(=O)c1nc(Sc2cccc(Cl)c2Cl)c(OCc2ccc(OC)cc2)nc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C31H36Cl2N4O6S/c1-30(2,3)43-29(39)36-31(4)14-16-37(17-15-31)25-24(28(38)41-6)34-27(44-22-9-7-8-21(32)23(22)33)26(35-25)42-18-19-10-12-20(40-5)13-11-19/h7-13H,14-18H2,1-6H3,(H,36,39)
InChIKeyWMNSMXTWBDESES-UHFFFAOYSA-N
XLogP7.19
TPSA112.11 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.62
LogP ≤ 57.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze methyl 6-(2,3-dichlorophenyl)sulfanyl-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate 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

tert-butyl N-[1-[3-bromo-5-(2,3-dichlorophenyl)sulfanyl-6-[(4-methoxyphenyl)methoxy]pyrazin-2-yl]-4-methylpiperidin-4-yl]carbamate
CID 138734969
Methyl 6-(2,3-dichlorophenyl)-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate
CID 138735027
tert-butyl N-[1-[5-(2,3-dichlorophenyl)sulfanyl-6-[(4-methoxyphenyl)methoxy]pyrazin-2-yl]-4-methylpiperidin-4-yl]carbamate
CID 138735062
tert-butyl N-[1-[3-acetyl-5-(2,3-dichlorophenyl)sulfanyl-6-[(4-methoxyphenyl)methoxy]pyrazin-2-yl]-4-methylpiperidin-4-yl]carbamate
CID 160815606

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,3-dichlorophenyl)sulfanyl-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate?
The IUPAC name of methyl 6-(2,3-dichlorophenyl)sulfanyl-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate (CID 138735087) is methyl 6-(2,3-dichlorophenyl)sulfanyl-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate.
What is the SMILES notation for methyl 6-(2,3-dichlorophenyl)sulfanyl-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate?
The canonical SMILES for methyl 6-(2,3-dichlorophenyl)sulfanyl-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate is COC(=O)c1nc(Sc2cccc(Cl)c2Cl)c(OCc2ccc(OC)cc2)nc1N1CCC(C)(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of methyl 6-(2,3-dichlorophenyl)sulfanyl-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate?
The InChIKey is WMNSMXTWBDESES-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36Cl2N4O6S/c1-30(2,3)43-29(39)36-31(4)14-16-37(17-15-31)25-24(28(38)41-6)34-27(44-22-9-7-8-21(32)23(22)33)26(35-25)42-18-19-10-12-20(40-5)13-11-19/h7-13H,14-18H2,1-6H3,(H,36,39).
What are the key properties of methyl 6-(2,3-dichlorophenyl)sulfanyl-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate?
methyl 6-(2,3-dichlorophenyl)sulfanyl-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate has a molecular weight of 663.62 g/mol, XLogP of 7.19, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,3-dichlorophenyl)sulfanyl-5-[(4-methoxyphenyl)methoxy]-3-[4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyrazine-2-carboxylate is sourced from PubChem (CID 138735087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).