6-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one;hydrochloride

C25H30Cl2N4O5S — CID 66852610

IUPAC6-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one;hydrochloride
SMILESCN1C=C2C(=O)N(C3CCN(C(=O)C(C)(O)CS(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)CN2C1.Cl
InChIInChI=1S/C25H29ClN4O5S.ClH/c1-25(33,14-36(34,35)21-6-4-17-11-19(26)5-3-18(17)12-21)24(32)28-9-7-20(8-10-28)30-16-29-15-27(2)13-22(29)23(30)31;/h3-6,11-13,20,33H,7-10,14-16H2,1-2H3;1H
InChIKeyGUZXQLNNADKIIW-UHFFFAOYSA-N
MW569.51 g/mol
LogP2.28
Rot. Bonds5

About 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one;hydrochloride

6-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one;hydrochloride (PubChem CID 66852610) has the molecular formula C25H30Cl2N4O5S and a molecular weight of 569.51 g/mol. Its IUPAC name is 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one;hydrochloride.

Molecular Properties

Compound Name6-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one;hydrochloride
PubChem CID66852610
Molecular FormulaC25H30Cl2N4O5S
Molecular Weight569.51 g/mol
Exact Mass568.13
IUPAC Name6-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one;hydrochloride
SMILESCN1C=C2C(=O)N(C3CCN(C(=O)C(C)(O)CS(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)CN2C1.Cl
InChIInChI=1S/C25H29ClN4O5S.ClH/c1-25(33,14-36(34,35)21-6-4-17-11-19(26)5-3-18(17)12-21)24(32)28-9-7-20(8-10-28)30-16-29-15-27(2)13-22(29)23(30)31;/h3-6,11-13,20,33H,7-10,14-16H2,1-2H3;1H
InChIKeyGUZXQLNNADKIIW-UHFFFAOYSA-N
XLogP2.28
TPSA101.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.51
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one;hydrochloride?
The IUPAC name of 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one;hydrochloride (CID 66852610) is 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one;hydrochloride.
What is the SMILES notation for 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one;hydrochloride?
The canonical SMILES for 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one;hydrochloride is CN1C=C2C(=O)N(C3CCN(C(=O)C(C)(O)CS(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)CN2C1.Cl.
What is the InChIKey of 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one;hydrochloride?
The InChIKey is GUZXQLNNADKIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O5S.ClH/c1-25(33,14-36(34,35)21-6-4-17-11-19(26)5-3-18(17)12-21)24(32)28-9-7-20(8-10-28)30-16-29-15-27(2)13-22(29)23(30)31;/h3-6,11-13,20,33H,7-10,14-16H2,1-2H3;1H.
What are the key properties of 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one;hydrochloride?
6-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one;hydrochloride has a molecular weight of 569.51 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[3-(6-chloronaphthalen-2-yl)sulfonyl-2-hydroxy-2-methylpropanoyl]piperidin-4-yl]-2-methyl-3,5-dihydroimidazo[1,5-c]imidazol-7-one;hydrochloride is sourced from PubChem (CID 66852610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).