1-[6-chloro-2-[(3E,6Z)-8-chloroocta-3,6-dien-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[(Z)-prop-1-enyl]sulfanylpropan-2-one;1-(3-chloro-4-methylsulfonylthiophen-2-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;ethane;1-methyl-3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperidin-2-one

C66H72Cl3N7O5S3 — CID 143046924

About 1-[6-chloro-2-[(3E,6Z)-8-chloroocta-3,6-dien-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[(Z)-prop-1-enyl]sulfanylpropan-2-one;1-(3-chloro-4-methylsulfonylthiophen-2-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;ethane;1-methyl-3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperidin-2-one

1-[6-chloro-2-[(3E,6Z)-8-chloroocta-3,6-dien-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[(Z)-prop-1-enyl]sulfanylpropan-2-one;1-(3-chloro-4-methylsulfonylthiophen-2-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;ethane;1-methyl-3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperidin-2-one (PubChem CID 143046924) has the molecular formula C66H72Cl3N7O5S3 and a molecular weight of 1245.91 g/mol. Its IUPAC name is 1-[6-chloro-2-[(3E,6Z)-8-chloroocta-3,6-dien-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[(Z)-prop-1-enyl]sulfanylpropan-2-one;1-(3-chloro-4-methylsulfonylthiophen-2-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;ethane;1-methyl-3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperidin-2-one.

Molecular Properties

• Compound Name: 1-[6-chloro-2-[(3E,6Z)-8-chloroocta-3,6-dien-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[(Z)-prop-1-enyl]sulfanylpropan-2-one;1-(3-chloro-4-methylsulfonylthiophen-2-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;ethane;1-methyl-3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperidin-2-one
• PubChem CID: 143046924
• Molecular Formula: C66H72Cl3N7O5S3
• Molecular Weight: 1245.91 g/mol
• Exact Mass: 1243.38
• IUPAC Name: 1-[6-chloro-2-[(3E,6Z)-8-chloroocta-3,6-dien-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[(Z)-prop-1-enyl]sulfanylpropan-2-one;1-(3-chloro-4-methylsulfonylthiophen-2-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;ethane;1-methyl-3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperidin-2-one
• SMILES: C/C=C\SCC(=O)Cc1c(/C(=C/CC)C/C=C\CCl)nc2ccc(Cl)cn12.CC.Cc1ccc(-c2nc3ccc(C)cn3c2C2CCCN(C)C2=O)cc1.Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)c2scc(S(C)(=O)=O)c2Cl)cc1
• InChI: InChI=1S/C22H19ClN2O3S2.C21H24Cl2N2OS.C21H23N3O.C2H6/c1-13-4-7-15(8-5-13)21-16(25-11-14(2)6-9-19(25)24-21)10-17(26)22-20(23)18(12-29-22)30(3,27)28;1-3-7-16(8-5-6-11-22)21-19(13-18(26)15-27-12-4-2)25-14-17(23)9-10-20(25)24-21;1-14-6-9-16(10-7-14)19-20(17-5-4-12-23(3)21(17)25)24-13-15(2)8-11-18(24)22-19;1-2/h4-9,11-12H,10H2,1-3H3;4-7,9-10,12,14H,3,8,11,13,15H2,1-2H3;6-11,13,17H,4-5,12H2,1-3H3;1-2H3/b;6-5-,12-4-,16-7+
• InChIKey: ZPNCCBUGKLJYAB-VMCUCEOVSA-N
• XLogP: 16.49
• TPSA: 140.49 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 17
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1245.91
LogP ≤ 5	16.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-2-[(3E,6Z)-8-chloroocta-3,6-dien-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[(Z)-prop-1-enyl]sulfanylpropan-2-one;1-(3-chloro-4-methylsulfonylthiophen-2-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;ethane;1-methyl-3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperidin-2-one?

The IUPAC name of 1-[6-chloro-2-[(3E,6Z)-8-chloroocta-3,6-dien-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[(Z)-prop-1-enyl]sulfanylpropan-2-one;1-(3-chloro-4-methylsulfonylthiophen-2-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;ethane;1-methyl-3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperidin-2-one (CID 143046924) is 1-[6-chloro-2-[(3E,6Z)-8-chloroocta-3,6-dien-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[(Z)-prop-1-enyl]sulfanylpropan-2-one;1-(3-chloro-4-methylsulfonylthiophen-2-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;ethane;1-methyl-3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperidin-2-one.

What is the SMILES notation for 1-[6-chloro-2-[(3E,6Z)-8-chloroocta-3,6-dien-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[(Z)-prop-1-enyl]sulfanylpropan-2-one;1-(3-chloro-4-methylsulfonylthiophen-2-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;ethane;1-methyl-3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperidin-2-one?

The canonical SMILES for 1-[6-chloro-2-[(3E,6Z)-8-chloroocta-3,6-dien-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[(Z)-prop-1-enyl]sulfanylpropan-2-one;1-(3-chloro-4-methylsulfonylthiophen-2-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;ethane;1-methyl-3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperidin-2-one is C/C=C\SCC(=O)Cc1c(/C(=C/CC)C/C=C\CCl)nc2ccc(Cl)cn12.CC.Cc1ccc(-c2nc3ccc(C)cn3c2C2CCCN(C)C2=O)cc1.Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)c2scc(S(C)(=O)=O)c2Cl)cc1.

What is the InChIKey of 1-[6-chloro-2-[(3E,6Z)-8-chloroocta-3,6-dien-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[(Z)-prop-1-enyl]sulfanylpropan-2-one;1-(3-chloro-4-methylsulfonylthiophen-2-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;ethane;1-methyl-3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperidin-2-one?

The InChIKey is ZPNCCBUGKLJYAB-VMCUCEOVSA-N. The full InChI is InChI=1S/C22H19ClN2O3S2.C21H24Cl2N2OS.C21H23N3O.C2H6/c1-13-4-7-15(8-5-13)21-16(25-11-14(2)6-9-19(25)24-21)10-17(26)22-20(23)18(12-29-22)30(3,27)28;1-3-7-16(8-5-6-11-22)21-19(13-18(26)15-27-12-4-2)25-14-17(23)9-10-20(25)24-21;1-14-6-9-16(10-7-14)19-20(17-5-4-12-23(3)21(17)25)24-13-15(2)8-11-18(24)22-19;1-2/h4-9,11-12H,10H2,1-3H3;4-7,9-10,12,14H,3,8,11,13,15H2,1-2H3;6-11,13,17H,4-5,12H2,1-3H3;1-2H3/b;6-5-,12-4-,16-7+;;.

What are the key properties of 1-[6-chloro-2-[(3E,6Z)-8-chloroocta-3,6-dien-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[(Z)-prop-1-enyl]sulfanylpropan-2-one;1-(3-chloro-4-methylsulfonylthiophen-2-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;ethane;1-methyl-3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperidin-2-one?

1-[6-chloro-2-[(3E,6Z)-8-chloroocta-3,6-dien-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[(Z)-prop-1-enyl]sulfanylpropan-2-one;1-(3-chloro-4-methylsulfonylthiophen-2-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;ethane;1-methyl-3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperidin-2-one has a molecular weight of 1245.91 g/mol, XLogP of 16.49, 17 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-chloro-2-[(3E,6Z)-8-chloroocta-3,6-dien-4-yl]imidazo[1,2-a]pyridin-3-yl]-3-[(Z)-prop-1-enyl]sulfanylpropan-2-one;1-(3-chloro-4-methylsulfonylthiophen-2-yl)-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone;ethane;1-methyl-3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]piperidin-2-one is sourced from PubChem (CID 143046924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).