6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfanyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one

C24H25ClN4O3S — CID 66854284

IUPAC6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfanyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)[C@H](O)CSc3ccc4cc(Cl)ccc4c3)CC1)C2
InChIInChI=1S/C24H25ClN4O3S/c1-15-26-12-20-13-28(24(32)29(15)20)19-6-8-27(9-7-19)23(31)22(30)14-33-21-5-3-16-10-18(25)4-2-17(16)11-21/h2-5,10-12,19,22,30H,6-9,13-14H2,1H3/t22-/m1/s1
InChIKeyMUIAPTGAWFQALZ-JOCHJYFZSA-N
MW485.01 g/mol
LogP3.93
Rot. Bonds5

About 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfanyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one

6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfanyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one (PubChem CID 66854284) has the molecular formula C24H25ClN4O3S and a molecular weight of 485.01 g/mol. Its IUPAC name is 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfanyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one.

Molecular Properties

Compound Name6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfanyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
PubChem CID66854284
Molecular FormulaC24H25ClN4O3S
Molecular Weight485.01 g/mol
Exact Mass484.13
IUPAC Name6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfanyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)[C@H](O)CSc3ccc4cc(Cl)ccc4c3)CC1)C2
InChIInChI=1S/C24H25ClN4O3S/c1-15-26-12-20-13-28(24(32)29(15)20)19-6-8-27(9-7-19)23(31)22(30)14-33-21-5-3-16-10-18(25)4-2-17(16)11-21/h2-5,10-12,19,22,30H,6-9,13-14H2,1H3/t22-/m1/s1
InChIKeyMUIAPTGAWFQALZ-JOCHJYFZSA-N
XLogP3.93
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.01
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfanyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one with MolForge

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Related Compounds

(S)-2-(1-(3-(6-chloronaphthalen-2-ylsulfonyl)-2-hydroxypropanoyl)piperidin-4-yl)-5-methyl-1H-imidazo[1,5-c]imidazol-3(2H)-one
CID 46196561
2-(1-(3-(6-chloronaphthalen-2-ylsulfonyl)propanoyl)piperidin-4-yl)-5-methyl-1H-imidazo[1,5-c]imidazol-3(2H)-one
CID 9935746
2-(1-{3-[(6-Chloronaphthalen-2-yl)sulfonyl]propanoyl}piperidin-4-yl)-5,7-dimethyl-1,2-dihydro-3H-imidazo[1,5-c]imidazol-3-one
CID 9983994
2-(1-(3-(6-chloronaphthalen-2-ylsulfonyl)propanoyl)piperidin-4-yl)-5-(hydroxymethyl)-1H-imidazo[1,5-c]imidazol-3(2H)-one
CID 10324263
2-(4-{3-[(6-Chloronaphthalen-2-yl)sulfonyl]propanoyl}piperazin-1-yl)-5-methyl-1,2-dihydro-3H-imidazo[1,5-c]imidazol-3-one
CID 24881192
1-{3-[(6-Chloronaphthalen-2-yl)sulfonyl]propanoyl}-4-(1,2-dimethyl-1H-imidazol-5-yl)piperidine
CID 24882256
(R)-2-(1-(3-(6-chloronaphthalen-2-ylsulfonyl)-2-hydroxypropanoyl)piperidin-4-yl)-5-methyl-1H-imidazo[1,5-c]imidazol-3(2H)-one
CID 46226806
2-(1-{(2S)-3-[(6-Chloronaphthalen-2-yl)sulfonyl]-2-hydroxypropanoyl}piperidin-4-yl)-1,2-dihydro-3H-pyrrolo[1,2-c]imidazol-3-one
CID 46222445
3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]propane-1,2-dione
CID 46226817
6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(difluoromethyl)-7H-imidazo[1,5-c]imidazol-5-one
CID 66853068
6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-3-(fluoromethyl)-7H-imidazo[1,5-c]imidazol-5-one
CID 66854187
N-((1S)-1-{[(6-chloro-2-naphthyl)sulfonyl]methyl}-2-[4-(5-methyl-3-oxo-1H-imidazo[1,5-c]imidazol-2(3H)-yl)-1-piperidinyl]-2-oxoethyl)-2,2,2-trifluoroacetamide
CID 86609874

Frequently Asked Questions

What is the IUPAC name of 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfanyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
The IUPAC name of 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfanyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one (CID 66854284) is 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfanyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one.
What is the SMILES notation for 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfanyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
The canonical SMILES for 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfanyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one is Cc1ncc2n1C(=O)N(C1CCN(C(=O)[C@H](O)CSc3ccc4cc(Cl)ccc4c3)CC1)C2.
What is the InChIKey of 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfanyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
The InChIKey is MUIAPTGAWFQALZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H25ClN4O3S/c1-15-26-12-20-13-28(24(32)29(15)20)19-6-8-27(9-7-19)23(31)22(30)14-33-21-5-3-16-10-18(25)4-2-17(16)11-21/h2-5,10-12,19,22,30H,6-9,13-14H2,1H3/t22-/m1/s1.
What are the key properties of 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfanyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfanyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one has a molecular weight of 485.01 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfanyl-2-hydroxypropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one is sourced from PubChem (CID 66854284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).