methyl 1-[(5R)-7-(3,5-dichlorophenyl)-5-[[4-(3,5-difluorophenyl)phenyl]methyl]-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate

C32H28Cl2F2N4O5S — CID 59923597

IUPACmethyl 1-[(5R)-7-(3,5-dichlorophenyl)-5-[[4-(3,5-difluorophenyl)phenyl]methyl]-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)c2cnc3n2[C@](C)(Cc2ccc(-c4cc(F)cc(F)c4)cc2)C(=O)N3c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C32H28Cl2F2N4O5S/c1-32(17-19-3-5-20(6-4-19)22-11-25(35)16-26(36)12-22)30(42)39(27-14-23(33)13-24(34)15-27)31-37-18-28(40(31)32)46(43,44)38-9-7-21(8-10-38)29(41)45-2/h3-6,11-16,18,21H,7-10,17H2,1-2H3/t32-/m1/s1
InChIKeySVSWIGGLZHNSPL-JGCGQSQUSA-N
MW689.57 g/mol
LogP6.34
Rot. Bonds7

About methyl 1-[(5R)-7-(3,5-dichlorophenyl)-5-[[4-(3,5-difluorophenyl)phenyl]methyl]-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate

methyl 1-[(5R)-7-(3,5-dichlorophenyl)-5-[[4-(3,5-difluorophenyl)phenyl]methyl]-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate (PubChem CID 59923597) has the molecular formula C32H28Cl2F2N4O5S and a molecular weight of 689.57 g/mol. Its IUPAC name is methyl 1-[(5R)-7-(3,5-dichlorophenyl)-5-[[4-(3,5-difluorophenyl)phenyl]methyl]-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(5R)-7-(3,5-dichlorophenyl)-5-[[4-(3,5-difluorophenyl)phenyl]methyl]-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate
PubChem CID59923597
Molecular FormulaC32H28Cl2F2N4O5S
Molecular Weight689.57 g/mol
Exact Mass688.11
IUPAC Namemethyl 1-[(5R)-7-(3,5-dichlorophenyl)-5-[[4-(3,5-difluorophenyl)phenyl]methyl]-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate
SMILESCOC(=O)C1CCN(S(=O)(=O)c2cnc3n2[C@](C)(Cc2ccc(-c4cc(F)cc(F)c4)cc2)C(=O)N3c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C32H28Cl2F2N4O5S/c1-32(17-19-3-5-20(6-4-19)22-11-25(35)16-26(36)12-22)30(42)39(27-14-23(33)13-24(34)15-27)31-37-18-28(40(31)32)46(43,44)38-9-7-21(8-10-38)29(41)45-2/h3-6,11-16,18,21H,7-10,17H2,1-2H3/t32-/m1/s1
InChIKeySVSWIGGLZHNSPL-JGCGQSQUSA-N
XLogP6.34
TPSA101.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.57
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 1-[(5R)-7-(3,5-dichlorophenyl)-5-[[4-(3,5-difluorophenyl)phenyl]methyl]-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(5R)-7-(3,5-dichlorophenyl)-5-[[4-(3,5-difluorophenyl)phenyl]methyl]-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-[(5R)-7-(3,5-dichlorophenyl)-5-[[4-(3,5-difluorophenyl)phenyl]methyl]-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate (CID 59923597) is methyl 1-[(5R)-7-(3,5-dichlorophenyl)-5-[[4-(3,5-difluorophenyl)phenyl]methyl]-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[(5R)-7-(3,5-dichlorophenyl)-5-[[4-(3,5-difluorophenyl)phenyl]methyl]-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-[(5R)-7-(3,5-dichlorophenyl)-5-[[4-(3,5-difluorophenyl)phenyl]methyl]-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate is COC(=O)C1CCN(S(=O)(=O)c2cnc3n2[C@](C)(Cc2ccc(-c4cc(F)cc(F)c4)cc2)C(=O)N3c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of methyl 1-[(5R)-7-(3,5-dichlorophenyl)-5-[[4-(3,5-difluorophenyl)phenyl]methyl]-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate?
The InChIKey is SVSWIGGLZHNSPL-JGCGQSQUSA-N. The full InChI is InChI=1S/C32H28Cl2F2N4O5S/c1-32(17-19-3-5-20(6-4-19)22-11-25(35)16-26(36)12-22)30(42)39(27-14-23(33)13-24(34)15-27)31-37-18-28(40(31)32)46(43,44)38-9-7-21(8-10-38)29(41)45-2/h3-6,11-16,18,21H,7-10,17H2,1-2H3/t32-/m1/s1.
What are the key properties of methyl 1-[(5R)-7-(3,5-dichlorophenyl)-5-[[4-(3,5-difluorophenyl)phenyl]methyl]-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate?
methyl 1-[(5R)-7-(3,5-dichlorophenyl)-5-[[4-(3,5-difluorophenyl)phenyl]methyl]-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate has a molecular weight of 689.57 g/mol, XLogP of 6.34, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(5R)-7-(3,5-dichlorophenyl)-5-[[4-(3,5-difluorophenyl)phenyl]methyl]-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 59923597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).