3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]chromen-2-one;3-(7-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]chromen-2-one;3-(3-fluoro-4-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]chromen-2-one;7-piperazin-1-yl-3-[2-(trifluoromethyl)-3-pyridinyl]chromen-2-one

C101H92Cl2F7N17O10 — CID 158600971

About 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]chromen-2-one;3-(7-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]chromen-2-one;3-(3-fluoro-4-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]chromen-2-one;7-piperazin-1-yl-3-[2-(trifluoromethyl)-3-pyridinyl]chromen-2-one

3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]chromen-2-one;3-(7-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]chromen-2-one;3-(3-fluoro-4-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]chromen-2-one;7-piperazin-1-yl-3-[2-(trifluoromethyl)-3-pyridinyl]chromen-2-one (PubChem CID 158600971) has the molecular formula C101H92Cl2F7N17O10 and a molecular weight of 1907.85 g/mol. Its IUPAC name is 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]chromen-2-one;3-(7-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]chromen-2-one;3-(3-fluoro-4-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]chromen-2-one;7-piperazin-1-yl-3-[2-(trifluoromethyl)-3-pyridinyl]chromen-2-one.

Molecular Properties

• Compound Name: 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]chromen-2-one;3-(7-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]chromen-2-one;3-(3-fluoro-4-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]chromen-2-one;7-piperazin-1-yl-3-[2-(trifluoromethyl)-3-pyridinyl]chromen-2-one
• PubChem CID: 158600971
• Molecular Formula: C101H92Cl2F7N17O10
• Molecular Weight: 1907.85 g/mol
• Exact Mass: 1905.65
• IUPAC Name: 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]chromen-2-one;3-(7-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]chromen-2-one;3-(3-fluoro-4-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]chromen-2-one;7-piperazin-1-yl-3-[2-(trifluoromethyl)-3-pyridinyl]chromen-2-one
• SMILES: CN(C)[C@H]1CCN(c2ccc3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3c2)C1.CN1CCN(c2ccc3cc(-c4cccnc4C(F)(F)F)c(=O)oc3c2)CC1.C[C@@H]1CN(c2ccc3cc(-c4cn5ccc(Cl)cc5n4)c(=O)oc3c2)C[C@H](C)N1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cccnc1C(F)(F)F.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1ccncc1F
• InChI: InChI=1S/2C22H21ClN4O2.C20H18F3N3O2.C19H16F3N3O2.C18H16FN3O2/c1-13-10-27(11-14(2)24-13)17-4-3-15-7-18(22(28)29-20(15)9-17)19-12-26-6-5-16(23)8-21(26)25-19;1-25(2)16-7-9-26(12-16)15-6-5-14-10-17(22(28)29-20(14)11-15)19-13-27-8-3-4-18(23)21(27)24-19;1-25-7-9-26(10-8-25)14-5-4-13-11-16(19(27)28-17(13)12-14)15-3-2-6-24-18(15)20(21,22)23;20-19(21,22)17-14(2-1-5-24-17)15-10-12-3-4-13(11-16(12)27-18(15)26)25-8-6-23-7-9-25;19-16-11-21-4-3-14(16)15-9-12-1-2-13(10-17(12)24-18(15)23)22-7-5-20-6-8-22/h3-9,12-14,24H,10-11H2,1-2H3;3-6,8,10-11,13,16H,7,9,12H2,1-2H3;2-6,11-12H,7-10H2,1H3;1-5,10-11,23H,6-9H2;1-4,9-11,20H,5-8H2/t13-,14+;16-;;;/m.0.../s1
• InChIKey: HVPZYXKRGFTOIZ-VJJYDWHUSA-N
• XLogP: 17.16
• TPSA: 283.09 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 27
• Rotatable Bonds: 11
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1907.85
LogP ≤ 5	17.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	27

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-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]chromen-2-one;3-(7-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]chromen-2-one;3-(3-fluoro-4-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]chromen-2-one;7-piperazin-1-yl-3-[2-(trifluoromethyl)-3-pyridinyl]chromen-2-one?

The IUPAC name of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]chromen-2-one;3-(7-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]chromen-2-one;3-(3-fluoro-4-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]chromen-2-one;7-piperazin-1-yl-3-[2-(trifluoromethyl)-3-pyridinyl]chromen-2-one (CID 158600971) is 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]chromen-2-one;3-(7-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]chromen-2-one;3-(3-fluoro-4-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]chromen-2-one;7-piperazin-1-yl-3-[2-(trifluoromethyl)-3-pyridinyl]chromen-2-one.

What is the SMILES notation for 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]chromen-2-one;3-(7-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]chromen-2-one;3-(3-fluoro-4-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]chromen-2-one;7-piperazin-1-yl-3-[2-(trifluoromethyl)-3-pyridinyl]chromen-2-one?

The canonical SMILES for 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]chromen-2-one;3-(7-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]chromen-2-one;3-(3-fluoro-4-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]chromen-2-one;7-piperazin-1-yl-3-[2-(trifluoromethyl)-3-pyridinyl]chromen-2-one is CN(C)[C@H]1CCN(c2ccc3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3c2)C1.CN1CCN(c2ccc3cc(-c4cccnc4C(F)(F)F)c(=O)oc3c2)CC1.C[C@@H]1CN(c2ccc3cc(-c4cn5ccc(Cl)cc5n4)c(=O)oc3c2)C[C@H](C)N1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cccnc1C(F)(F)F.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1ccncc1F.

What is the InChIKey of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]chromen-2-one;3-(7-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]chromen-2-one;3-(3-fluoro-4-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]chromen-2-one;7-piperazin-1-yl-3-[2-(trifluoromethyl)-3-pyridinyl]chromen-2-one?

The InChIKey is HVPZYXKRGFTOIZ-VJJYDWHUSA-N. The full InChI is InChI=1S/2C22H21ClN4O2.C20H18F3N3O2.C19H16F3N3O2.C18H16FN3O2/c1-13-10-27(11-14(2)24-13)17-4-3-15-7-18(22(28)29-20(15)9-17)19-12-26-6-5-16(23)8-21(26)25-19;1-25(2)16-7-9-26(12-16)15-6-5-14-10-17(22(28)29-20(14)11-15)19-13-27-8-3-4-18(23)21(27)24-19;1-25-7-9-26(10-8-25)14-5-4-13-11-16(19(27)28-17(13)12-14)15-3-2-6-24-18(15)20(21,22)23;20-19(21,22)17-14(2-1-5-24-17)15-10-12-3-4-13(11-16(12)27-18(15)26)25-8-6-23-7-9-25;19-16-11-21-4-3-14(16)15-9-12-1-2-13(10-17(12)24-18(15)23)22-7-5-20-6-8-22/h3-9,12-14,24H,10-11H2,1-2H3;3-6,8,10-11,13,16H,7,9,12H2,1-2H3;2-6,11-12H,7-10H2,1H3;1-5,10-11,23H,6-9H2;1-4,9-11,20H,5-8H2/t13-,14+;16-;;;/m.0.../s1.

What are the key properties of 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]chromen-2-one;3-(7-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]chromen-2-one;3-(3-fluoro-4-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]chromen-2-one;7-piperazin-1-yl-3-[2-(trifluoromethyl)-3-pyridinyl]chromen-2-one?

3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]chromen-2-one;3-(7-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]chromen-2-one;3-(3-fluoro-4-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]chromen-2-one;7-piperazin-1-yl-3-[2-(trifluoromethyl)-3-pyridinyl]chromen-2-one has a molecular weight of 1907.85 g/mol, XLogP of 17.16, 11 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]chromen-2-one;3-(7-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]chromen-2-one;3-(3-fluoro-4-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-[2-(trifluoromethyl)-3-pyridinyl]chromen-2-one;7-piperazin-1-yl-3-[2-(trifluoromethyl)-3-pyridinyl]chromen-2-one is sourced from PubChem (CID 158600971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).