[6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-2-yl]methyl 3-(2-oxopyrrolidin-1-yl)propanoate

C31H36ClN5O8S — CID 66852548

IUPAC[6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-2-yl]methyl 3-(2-oxopyrrolidin-1-yl)propanoate
SMILESO=C(CCN1CCCC1=O)OCN1C=C2C(=O)N(C3CCN(C(=O)[C@H](O)CS(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)CN2C1
InChIInChI=1S/C31H36ClN5O8S/c32-23-5-3-22-15-25(6-4-21(22)14-23)46(43,44)17-27(38)31(42)35-11-7-24(8-12-35)37-19-36-18-33(16-26(36)30(37)41)20-45-29(40)9-13-34-10-1-2-28(34)39/h3-6,14-16,24,27,38H,1-2,7-13,17-20H2/t27-/m1/s1
InChIKeyWJQJVEVTWIYAFS-HHHXNRCGSA-N
MW674.18 g/mol
LogP1.35
Rot. Bonds10

About [6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-2-yl]methyl 3-(2-oxopyrrolidin-1-yl)propanoate

[6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-2-yl]methyl 3-(2-oxopyrrolidin-1-yl)propanoate (PubChem CID 66852548) has the molecular formula C31H36ClN5O8S and a molecular weight of 674.18 g/mol. Its IUPAC name is [6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-2-yl]methyl 3-(2-oxopyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Name[6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-2-yl]methyl 3-(2-oxopyrrolidin-1-yl)propanoate
PubChem CID66852548
Molecular FormulaC31H36ClN5O8S
Molecular Weight674.18 g/mol
Exact Mass673.20
IUPAC Name[6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-2-yl]methyl 3-(2-oxopyrrolidin-1-yl)propanoate
SMILESO=C(CCN1CCCC1=O)OCN1C=C2C(=O)N(C3CCN(C(=O)[C@H](O)CS(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)CN2C1
InChIInChI=1S/C31H36ClN5O8S/c32-23-5-3-22-15-25(6-4-21(22)14-23)46(43,44)17-27(38)31(42)35-11-7-24(8-12-35)37-19-36-18-33(16-26(36)30(37)41)20-45-29(40)9-13-34-10-1-2-28(34)39/h3-6,14-16,24,27,38H,1-2,7-13,17-20H2/t27-/m1/s1
InChIKeyWJQJVEVTWIYAFS-HHHXNRCGSA-N
XLogP1.35
TPSA148.08 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500674.18
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-2-yl]methyl 3-(2-oxopyrrolidin-1-yl)propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-2-yl]methyl 3-(2-oxopyrrolidin-1-yl)propanoate?
The IUPAC name of [6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-2-yl]methyl 3-(2-oxopyrrolidin-1-yl)propanoate (CID 66852548) is [6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-2-yl]methyl 3-(2-oxopyrrolidin-1-yl)propanoate.
What is the SMILES notation for [6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-2-yl]methyl 3-(2-oxopyrrolidin-1-yl)propanoate?
The canonical SMILES for [6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-2-yl]methyl 3-(2-oxopyrrolidin-1-yl)propanoate is O=C(CCN1CCCC1=O)OCN1C=C2C(=O)N(C3CCN(C(=O)[C@H](O)CS(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)CN2C1.
What is the InChIKey of [6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-2-yl]methyl 3-(2-oxopyrrolidin-1-yl)propanoate?
The InChIKey is WJQJVEVTWIYAFS-HHHXNRCGSA-N. The full InChI is InChI=1S/C31H36ClN5O8S/c32-23-5-3-22-15-25(6-4-21(22)14-23)46(43,44)17-27(38)31(42)35-11-7-24(8-12-35)37-19-36-18-33(16-26(36)30(37)41)20-45-29(40)9-13-34-10-1-2-28(34)39/h3-6,14-16,24,27,38H,1-2,7-13,17-20H2/t27-/m1/s1.
What are the key properties of [6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-2-yl]methyl 3-(2-oxopyrrolidin-1-yl)propanoate?
[6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-2-yl]methyl 3-(2-oxopyrrolidin-1-yl)propanoate has a molecular weight of 674.18 g/mol, XLogP of 1.35, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-7-oxo-3,5-dihydroimidazo[1,5-c]imidazol-2-yl]methyl 3-(2-oxopyrrolidin-1-yl)propanoate is sourced from PubChem (CID 66852548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).