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

C24H28Cl3N5O4S — CID 66853465

IUPAC6-[1-[2-amino-3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one;dihydrochloride
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)C(N)CS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2.Cl.Cl
InChIInChI=1S/C24H26ClN5O4S.2ClH/c1-15-27-12-20-13-29(24(32)30(15)20)19-6-8-28(9-7-19)23(31)22(26)14-35(33,34)21-5-3-16-10-18(25)4-2-17(16)11-21;;/h2-5,10-12,19,22H,6-9,13-14,26H2,1H3;2*1H
InChIKeyVABZXUICXOELNX-UHFFFAOYSA-N
MW588.95 g/mol
LogP3.42
Rot. Bonds5

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

6-[1-[2-amino-3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one;dihydrochloride (PubChem CID 66853465) has the molecular formula C24H28Cl3N5O4S and a molecular weight of 588.95 g/mol. Its IUPAC name is 6-[1-[2-amino-3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one;dihydrochloride.

Molecular Properties

Compound Name6-[1-[2-amino-3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one;dihydrochloride
PubChem CID66853465
Molecular FormulaC24H28Cl3N5O4S
Molecular Weight588.95 g/mol
Exact Mass587.09
IUPAC Name6-[1-[2-amino-3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one;dihydrochloride
SMILESCc1ncc2n1C(=O)N(C1CCN(C(=O)C(N)CS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2.Cl.Cl
InChIInChI=1S/C24H26ClN5O4S.2ClH/c1-15-27-12-20-13-29(24(32)30(15)20)19-6-8-28(9-7-19)23(31)22(26)14-35(33,34)21-5-3-16-10-18(25)4-2-17(16)11-21;;/h2-5,10-12,19,22H,6-9,13-14,26H2,1H3;2*1H
InChIKeyVABZXUICXOELNX-UHFFFAOYSA-N
XLogP3.42
TPSA118.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500588.95
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[1-[2-amino-3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[2-amino-3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one;dihydrochloride?
The IUPAC name of 6-[1-[2-amino-3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one;dihydrochloride (CID 66853465) is 6-[1-[2-amino-3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one;dihydrochloride.
What is the SMILES notation for 6-[1-[2-amino-3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one;dihydrochloride?
The canonical SMILES for 6-[1-[2-amino-3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one;dihydrochloride is Cc1ncc2n1C(=O)N(C1CCN(C(=O)C(N)CS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2.Cl.Cl.
What is the InChIKey of 6-[1-[2-amino-3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one;dihydrochloride?
The InChIKey is VABZXUICXOELNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN5O4S.2ClH/c1-15-27-12-20-13-29(24(32)30(15)20)19-6-8-28(9-7-19)23(31)22(26)14-35(33,34)21-5-3-16-10-18(25)4-2-17(16)11-21;;/h2-5,10-12,19,22H,6-9,13-14,26H2,1H3;2*1H.
What are the key properties of 6-[1-[2-amino-3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one;dihydrochloride?
6-[1-[2-amino-3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one;dihydrochloride has a molecular weight of 588.95 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-amino-3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-7H-imidazo[1,5-c]imidazol-5-one;dihydrochloride is sourced from PubChem (CID 66853465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).