3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(methylsulfinylmethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one

C26H27ClN4O4S2 — CID 139991550

IUPAC3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(methylsulfinylmethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one
SMILESCS(=O)Cc1cn2c(N3CCN(C(=O)CCS(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)cccc2n1
InChIInChI=1S/C26H27ClN4O4S2/c1-36(33)18-22-17-31-24(28-22)3-2-4-25(31)29-10-12-30(13-11-29)26(32)9-14-37(34,35)23-8-6-19-15-21(27)7-5-20(19)16-23/h2-8,15-17H,9-14,18H2,1H3
InChIKeyILNAXYFYPMPMBP-UHFFFAOYSA-N
MW559.11 g/mol
LogP3.53
Rot. Bonds7

About 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(methylsulfinylmethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one

3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(methylsulfinylmethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one (PubChem CID 139991550) has the molecular formula C26H27ClN4O4S2 and a molecular weight of 559.11 g/mol. Its IUPAC name is 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(methylsulfinylmethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(methylsulfinylmethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one
PubChem CID139991550
Molecular FormulaC26H27ClN4O4S2
Molecular Weight559.11 g/mol
Exact Mass558.12
IUPAC Name3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(methylsulfinylmethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one
SMILESCS(=O)Cc1cn2c(N3CCN(C(=O)CCS(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)cccc2n1
InChIInChI=1S/C26H27ClN4O4S2/c1-36(33)18-22-17-31-24(28-22)3-2-4-25(31)29-10-12-30(13-11-29)26(32)9-14-37(34,35)23-8-6-19-15-21(27)7-5-20(19)16-23/h2-8,15-17H,9-14,18H2,1H3
InChIKeyILNAXYFYPMPMBP-UHFFFAOYSA-N
XLogP3.53
TPSA92.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.11
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(methylsulfinylmethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(6-chloronaphthalen-2-yl)sulfonyl-1-[2-(hydroxymethyl)-4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazin-1-yl]propan-1-one
CID 139991602
3-[(5-chloro-1H-indol-2-yl)sulfonyl]-1-[4-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one
CID 139991612
N-(2-acetamidoethyl)-1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]-4-(2-methylimidazo[1,2-a]pyridin-5-yl)piperazine-2-carboxamide
CID 139991575
tert-butyl 5-chloro-2-[3-[4-[2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]-3-oxopropyl]sulfonylindole-1-carboxylate
CID 139991557
3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-(1,4,8-triazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-4-yl)piperidin-1-yl]propan-1-one;dihydrochloride
CID 66854005
3-(benzenesulfonyl)-1-[4-(3-chlorophenyl)piperazin-1-yl]propan-1-one
CID 2424550
3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[[5-(hydroxymethyl)-3-methyl-2-methylimino-1,3-thiazol-4-yl]methyl]piperazin-1-yl]propan-1-one
CID 23130926
3-(6-chloronaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyrimidin-3-ylpiperidin-1-yl)propan-1-one
CID 66852882
1-[4-(2-butylimidazol-1-yl)piperidin-1-yl]-3-(6-chloronaphthalen-2-yl)sulfonylpropan-1-one
CID 66853646
7-[1-[3-(6-chloronaphthalen-2-yl)sulfonylpropanoyl]piperidin-4-yl]-3-methyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
CID 66852881
1-[4-(6-chloro-1,3-benzothiazol-2-yl)piperazin-1-yl]-3-(4-chlorophenyl)sulfonylpropan-1-one
CID 27370389
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-(4-methylphenyl)sulfonylpropan-1-one
CID 4280734

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(methylsulfinylmethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(methylsulfinylmethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one (CID 139991550) is 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(methylsulfinylmethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(methylsulfinylmethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(methylsulfinylmethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one is CS(=O)Cc1cn2c(N3CCN(C(=O)CCS(=O)(=O)c4ccc5cc(Cl)ccc5c4)CC3)cccc2n1.
What is the InChIKey of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(methylsulfinylmethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one?
The InChIKey is ILNAXYFYPMPMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O4S2/c1-36(33)18-22-17-31-24(28-22)3-2-4-25(31)29-10-12-30(13-11-29)26(32)9-14-37(34,35)23-8-6-19-15-21(27)7-5-20(19)16-23/h2-8,15-17H,9-14,18H2,1H3.
What are the key properties of 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(methylsulfinylmethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one?
3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(methylsulfinylmethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one has a molecular weight of 559.11 g/mol, XLogP of 3.53, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloronaphthalen-2-yl)sulfonyl-1-[4-[2-(methylsulfinylmethyl)imidazo[1,2-a]pyridin-5-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 139991550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).