3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride

C26H27Cl2N3O3S — CID 66852508

IUPAC3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCc1cccc2ncc(C3CCN(C(=O)CCS(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)n12.Cl
InChIInChI=1S/C26H26ClN3O3S.ClH/c1-18-3-2-4-25-28-17-24(30(18)25)19-9-12-29(13-10-19)26(31)11-14-34(32,33)23-8-6-20-15-22(27)7-5-21(20)16-23;/h2-8,15-17,19H,9-14H2,1H3;1H
InChIKeySHUBKWOMEGDTGK-UHFFFAOYSA-N
MW532.49 g/mol
LogP5.44
Rot. Bonds5

About 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride

3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride (PubChem CID 66852508) has the molecular formula C26H27Cl2N3O3S and a molecular weight of 532.49 g/mol. Its IUPAC name is 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride.

Molecular Properties

Compound Name3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride
PubChem CID66852508
Molecular FormulaC26H27Cl2N3O3S
Molecular Weight532.49 g/mol
Exact Mass531.12
IUPAC Name3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride
SMILESCc1cccc2ncc(C3CCN(C(=O)CCS(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)n12.Cl
InChIInChI=1S/C26H26ClN3O3S.ClH/c1-18-3-2-4-25-28-17-24(30(18)25)19-9-12-29(13-10-19)26(31)11-14-34(32,33)23-8-6-20-15-22(27)7-5-21(20)16-23;/h2-8,15-17,19H,9-14H2,1H3;1H
InChIKeySHUBKWOMEGDTGK-UHFFFAOYSA-N
XLogP5.44
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.49
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride?
The IUPAC name of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride (CID 66852508) is 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride.
What is the SMILES notation for 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride?
The canonical SMILES for 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride is Cc1cccc2ncc(C3CCN(C(=O)CCS(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)n12.Cl.
What is the InChIKey of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride?
The InChIKey is SHUBKWOMEGDTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O3S.ClH/c1-18-3-2-4-25-28-17-24(30(18)25)19-9-12-29(13-10-19)26(31)11-14-34(32,33)23-8-6-20-15-22(27)7-5-21(20)16-23;/h2-8,15-17,19H,9-14H2,1H3;1H.
What are the key properties of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride?
3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride has a molecular weight of 532.49 g/mol, XLogP of 5.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one;hydrochloride is sourced from PubChem (CID 66852508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).