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

C24H25BrN4O4S — CID 66852956

IUPAC6-[1-[3-(6-bromonaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)CCS(=O)(=O)c3ccc4cc(Br)ccc4c3)CC1)C2
InChIInChI=1S/C24H25BrN4O4S/c1-16-26-14-21-15-28(24(31)29(16)21)20-6-9-27(10-7-20)23(30)8-11-34(32,33)22-5-3-17-12-19(25)4-2-18(17)13-22/h2-5,12-14,20H,6-11,15H2,1H3
InChIKeyKQHHJFDTKBBJAV-UHFFFAOYSA-N
MW545.46 g/mol
LogP3.75
Rot. Bonds5

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

6-[1-[3-(6-bromonaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one (PubChem CID 66852956) has the molecular formula C24H25BrN4O4S and a molecular weight of 545.46 g/mol. Its IUPAC name is 6-[1-[3-(6-bromonaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one.

Molecular Properties

Compound Name6-[1-[3-(6-bromonaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
PubChem CID66852956
Molecular FormulaC24H25BrN4O4S
Molecular Weight545.46 g/mol
Exact Mass544.08
IUPAC Name6-[1-[3-(6-bromonaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)CCS(=O)(=O)c3ccc4cc(Br)ccc4c3)CC1)C2
InChIInChI=1S/C24H25BrN4O4S/c1-16-26-14-21-15-28(24(31)29(16)21)20-6-9-27(10-7-20)23(30)8-11-34(32,33)22-5-3-17-12-19(25)4-2-18(17)13-22/h2-5,12-14,20H,6-11,15H2,1H3
InChIKeyKQHHJFDTKBBJAV-UHFFFAOYSA-N
XLogP3.75
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500545.46
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-(3-(6-chloronaphthalen-2-ylsulfonyl)propanoyl)piperidin-4-yl)-5-methyl-1H-imidazo[1,5-c]imidazol-3(2H)-one
CID 9935746
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-[3-(4-bromophenyl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one
CID 66852720
[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]-methylcarbamic acid
CID 66852742
[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]-ethylcarbamic acid
CID 66852743
3-(6-Bromonaphthalen-2-yl)sulfonyl-1-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride
CID 66852985
3-(6-Bromonaphthalen-2-yl)sulfonyl-1-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
CID 66852986
[(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]-ethylcarbamic acid
CID 66852999
3-(6-Bromonaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)propan-1-one;hydrochloride
CID 66853130
3-(6-Bromonaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)propan-1-one
CID 66853131
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)acetamide
CID 66853350
2-(1-{2-Amino-3-[(6-chloro-2-naphthyl)sulfonyl]propanoyl}-4-piperidinyl)-5-methyl-1,2-dihydro-3h-imidazo[1,5-c]imidazol-3-one dihydrochloride
CID 66853465

Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-(6-bromonaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
The IUPAC name of 6-[1-[3-(6-bromonaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one (CID 66852956) is 6-[1-[3-(6-bromonaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one.
What is the SMILES notation for 6-[1-[3-(6-bromonaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
The canonical SMILES for 6-[1-[3-(6-bromonaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one is Cc1ncc2n1C(=O)N(C1CCN(C(=O)CCS(=O)(=O)c3ccc4cc(Br)ccc4c3)CC1)C2.
What is the InChIKey of 6-[1-[3-(6-bromonaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
The InChIKey is KQHHJFDTKBBJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN4O4S/c1-16-26-14-21-15-28(24(31)29(16)21)20-6-9-27(10-7-20)23(30)8-11-34(32,33)22-5-3-17-12-19(25)4-2-18(17)13-22/h2-5,12-14,20H,6-11,15H2,1H3.
What are the key properties of 6-[1-[3-(6-bromonaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one?
6-[1-[3-(6-bromonaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one has a molecular weight of 545.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-(6-bromonaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one is sourced from PubChem (CID 66852956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).