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

C25H25ClN4O4S — CID 66854212

IUPAC6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)C3CC3S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2
InChIInChI=1S/C25H25ClN4O4S/c1-15-27-13-20-14-29(25(32)30(15)20)19-6-8-28(9-7-19)24(31)22-12-23(22)35(33,34)21-5-3-16-10-18(26)4-2-17(16)11-21/h2-5,10-11,13,19,22-23H,6-9,12,14H2,1H3
InChIKeyBOFKMZYFZKADKI-UHFFFAOYSA-N
MW513.02 g/mol
LogP3.64
Rot. Bonds4

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

6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one (PubChem CID 66854212) has the molecular formula C25H25ClN4O4S and a molecular weight of 513.02 g/mol. Its IUPAC name is 6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one.

Molecular Properties

Compound Name6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
PubChem CID66854212
Molecular FormulaC25H25ClN4O4S
Molecular Weight513.02 g/mol
Exact Mass512.13
IUPAC Name6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)C3CC3S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2
InChIInChI=1S/C25H25ClN4O4S/c1-15-27-13-20-14-29(25(32)30(15)20)19-6-8-28(9-7-19)24(31)22-12-23(22)35(33,34)21-5-3-16-10-18(26)4-2-17(16)11-21/h2-5,10-11,13,19,22-23H,6-9,12,14H2,1H3
InChIKeyBOFKMZYFZKADKI-UHFFFAOYSA-N
XLogP3.64
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.02
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 66853350
phenyl N-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 123894347
[2-[(6-chloronaphthalen-2-yl)sulfonylmethyl]-3-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-3-oxopropyl]carbamic acid
CID 69444780
6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one
CID 66854214
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
6-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
CID 134787640
6-[1-[3-(6-bromonaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
CID 66852956
7-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 66852881
6-[1-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]propanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
CID 10413253
(2R)-N-(4-chlorophenyl)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxamide
CID 58857969
1-(4-chlorophenyl)-3-[(1R)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea;1-(4-chlorophenyl)-3-[(1S)-2-[4-(3-methyl-5-oxo-7H-imidazo[1,5-c]imidazol-6-yl)piperidin-1-yl]-2-oxo-1-phenylethyl]urea
CID 159427910
[6-[1-[(2S)-3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxypropanoyl]piperidin-4-yl]-5-oxo-7H-imidazo[1,5-c]imidazol-3-yl]methyl 3-[butanoyl(methyl)amino]propanoate
CID 66853358

Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
The IUPAC name of 6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one (CID 66854212) is 6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one.
What is the SMILES notation for 6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
The canonical SMILES for 6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one is Cc1ncc2n1C(=O)N(C1CCN(C(=O)C3CC3S(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2.
What is the InChIKey of 6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
The InChIKey is BOFKMZYFZKADKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN4O4S/c1-15-27-13-20-14-29(25(32)30(15)20)19-6-8-28(9-7-19)24(31)22-12-23(22)35(33,34)21-5-3-16-10-18(26)4-2-17(16)11-21/h2-5,10-11,13,19,22-23H,6-9,12,14H2,1H3.
What are the key properties of 6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one has a molecular weight of 513.02 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-(6-chloronaphthalen-2-yl)sulfonylcyclopropanecarbonyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one is sourced from PubChem (CID 66854212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).