7-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C25H27ClN4O4S — CID 66852881

IUPAC7-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCc1ncc2n1CC(=O)N(C1CCN(C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2
InChIInChI=1S/C25H27ClN4O4S/c1-17-27-14-22-15-30(25(32)16-29(17)22)21-6-9-28(10-7-21)24(31)8-11-35(33,34)23-5-3-18-12-20(26)4-2-19(18)13-23/h2-5,12-14,21H,6-11,15-16H2,1H3
InChIKeyQVFSLROGBXPAEI-UHFFFAOYSA-N
MW515.04 g/mol
LogP3.20
Rot. Bonds5

About 7-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

7-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 66852881) has the molecular formula C25H27ClN4O4S and a molecular weight of 515.04 g/mol. Its IUPAC name is 7-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name7-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID66852881
Molecular FormulaC25H27ClN4O4S
Molecular Weight515.04 g/mol
Exact Mass514.14
IUPAC Name7-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCc1ncc2n1CC(=O)N(C1CCN(C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2
InChIInChI=1S/C25H27ClN4O4S/c1-17-27-14-22-15-30(25(32)16-29(17)22)21-6-9-28(10-7-21)24(31)8-11-35(33,34)23-5-3-18-12-20(26)4-2-19(18)13-23/h2-5,12-14,21H,6-11,15-16H2,1H3
InChIKeyQVFSLROGBXPAEI-UHFFFAOYSA-N
XLogP3.20
TPSA92.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.04
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of 7-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 66852881) is 7-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 7-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for 7-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is Cc1ncc2n1CC(=O)N(C1CCN(C(=O)CCS(=O)(=O)c3ccc4cc(Cl)ccc4c3)CC1)C2.
What is the InChIKey of 7-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is QVFSLROGBXPAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN4O4S/c1-17-27-14-22-15-30(25(32)16-29(17)22)21-6-9-28(10-7-21)24(31)8-11-35(33,34)23-5-3-18-12-20(26)4-2-19(18)13-23/h2-5,12-14,21H,6-11,15-16H2,1H3.
What are the key properties of 7-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
7-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 515.04 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 66852881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).