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

C26H26ClN3O3S — CID 66852509

IUPAC3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
SMILESCc1cccc2ncc(C3CCN(C(=O)CCS(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)n12
InChIInChI=1S/C26H26ClN3O3S/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
InChIKeyGWUBBTXEPPWKGX-UHFFFAOYSA-N
MW496.03 g/mol
LogP5.02
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

3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one (PubChem CID 66852509) has the molecular formula C26H26ClN3O3S and a molecular weight of 496.03 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.

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
PubChem CID66852509
Molecular FormulaC26H26ClN3O3S
Molecular Weight496.03 g/mol
Exact Mass495.14
IUPAC Name3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one
SMILESCc1cccc2ncc(C3CCN(C(=O)CCS(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)n12
InChIInChI=1S/C26H26ClN3O3S/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
InChIKeyGWUBBTXEPPWKGX-UHFFFAOYSA-N
XLogP5.02
TPSA71.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.03
LogP ≤ 55.02
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?
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 (CID 66852509) is 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one.
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?
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 is Cc1cccc2ncc(C3CCN(C(=O)CCS(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)n12.
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?
The InChIKey is GWUBBTXEPPWKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O3S/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.
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?
3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(5-methylimidazo[1,2-a]pyridin-3-yl)piperidin-1-yl]propan-1-one has a molecular weight of 496.03 g/mol, XLogP of 5.02, 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 is sourced from PubChem (CID 66852509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).