3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[methyl-(1-methylpiperidin-4-yl)amino]chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one

C₁₀₄H₁₀₇ClN₁₈O₁₀S₂ — CID 158843069

About 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[methyl-(1-methylpiperidin-4-yl)amino]chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one

3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[methyl-(1-methylpiperidin-4-yl)amino]chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one (PubChem CID 158843069) has the molecular formula C₁₀₄H₁₀₇ClN₁₈O₁₀S₂ and a molecular weight of 1868.70 g/mol. Its IUPAC name is 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[methyl-(1-methylpiperidin-4-yl)amino]chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one.

Molecular Properties

• Compound Name: 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[methyl-(1-methylpiperidin-4-yl)amino]chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
• PubChem CID: 158843069
• Molecular Formula: C₁₀₄H₁₀₇ClN₁₈O₁₀S₂
• Molecular Weight: 1868.70 g/mol
• Exact Mass: 1866.75
• IUPAC Name: 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[methyl-(1-methylpiperidin-4-yl)amino]chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
• SMILES: CN1CCCN(c2ccc3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3c2)CC1.Cc1ccc2nc(-c3cc4ccc(N(C)C5CCN(C)CC5)cc4oc3=O)cn2c1.Cc1cccn2cc(-c3cc4ccc(N5CCCNCC5)cc4oc3=O)nc12.Cc1csc(-c2cc3ccc(N4CCCNCC4)cc3oc2=O)n1.Cc1csc(-c2cc3ccc(N4CCN[C@@H](C)C4)cc3oc2=O)n1
• InChI: InChI=1S/C24H26N4O2.C22H21ClN4O2.C22H22N4O2.2C18H19N3O2S/c1-16-4-7-23-25-21(15-28(23)14-16)20-12-17-5-6-19(13-22(17)30-24(20)29)27(3)18-8-10-26(2)11-9-18;1-25-7-3-9-26(11-10-25)16-6-5-15-12-17(22(28)29-20(15)13-16)19-14-27-8-2-4-18(23)21(27)24-19;1-15-4-2-9-26-14-19(24-21(15)26)18-12-16-5-6-17(13-20(16)28-22(18)27)25-10-3-7-23-8-11-25;1-11-9-21(6-5-19-11)14-4-3-13-7-15(17-20-12(2)10-24-17)18(22)23-16(13)8-14;1-12-11-24-17(20-12)15-9-13-3-4-14(10-16(13)23-18(15)22)21-7-2-5-19-6-8-21/h4-7,12-15,18H,8-11H2,1-3H3;2,4-6,8,12-14H,3,7,9-11H2,1H3;2,4-6,9,12-14,23H,3,7-8,10-11H2,1H3;3-4,7-8,10-11,19H,5-6,9H2,1-2H3;3-4,9-11,19H,2,5-8H2,1H3/t;;;11-;/m...0./s1
• InChIKey: IYMKFPZUTVMPRQ-AGDVODHCSA-N
• XLogP: 17.11
• TPSA: 287.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 11
• Heavy Atoms: 135
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1868.70
LogP ≤ 5	17.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[methyl-(1-methylpiperidin-4-yl)amino]chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one?

The IUPAC name of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[methyl-(1-methylpiperidin-4-yl)amino]chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one (CID 158843069) is 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[methyl-(1-methylpiperidin-4-yl)amino]chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one.

What is the SMILES notation for 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[methyl-(1-methylpiperidin-4-yl)amino]chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one?

The canonical SMILES for 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[methyl-(1-methylpiperidin-4-yl)amino]chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one is CN1CCCN(c2ccc3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3c2)CC1.Cc1ccc2nc(-c3cc4ccc(N(C)C5CCN(C)CC5)cc4oc3=O)cn2c1.Cc1cccn2cc(-c3cc4ccc(N5CCCNCC5)cc4oc3=O)nc12.Cc1csc(-c2cc3ccc(N4CCCNCC4)cc3oc2=O)n1.Cc1csc(-c2cc3ccc(N4CCN[C@@H](C)C4)cc3oc2=O)n1.

What is the InChIKey of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[methyl-(1-methylpiperidin-4-yl)amino]chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one?

The InChIKey is IYMKFPZUTVMPRQ-AGDVODHCSA-N. The full InChI is InChI=1S/C24H26N4O2.C22H21ClN4O2.C22H22N4O2.2C18H19N3O2S/c1-16-4-7-23-25-21(15-28(23)14-16)20-12-17-5-6-19(13-22(17)30-24(20)29)27(3)18-8-10-26(2)11-9-18;1-25-7-3-9-26(11-10-25)16-6-5-15-12-17(22(28)29-20(15)13-16)19-14-27-8-2-4-18(23)21(27)24-19;1-15-4-2-9-26-14-19(24-21(15)26)18-12-16-5-6-17(13-20(16)28-22(18)27)25-10-3-7-23-8-11-25;1-11-9-21(6-5-19-11)14-4-3-13-7-15(17-20-12(2)10-24-17)18(22)23-16(13)8-14;1-12-11-24-17(20-12)15-9-13-3-4-14(10-16(13)23-18(15)22)21-7-2-5-19-6-8-21/h4-7,12-15,18H,8-11H2,1-3H3;2,4-6,8,12-14H,3,7,9-11H2,1H3;2,4-6,9,12-14,23H,3,7-8,10-11H2,1H3;3-4,7-8,10-11,19H,5-6,9H2,1-2H3;3-4,9-11,19H,2,5-8H2,1H3/t;;;11-;/m...0./s1.

What are the key properties of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[methyl-(1-methylpiperidin-4-yl)amino]chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one?

3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[methyl-(1-methylpiperidin-4-yl)amino]chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one has a molecular weight of 1868.70 g/mol, XLogP of 17.11, 11 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[methyl-(1-methylpiperidin-4-yl)amino]chromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one is sourced from PubChem (CID 158843069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158843069 — identifiers, structure, computed properties (public domain)

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