3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-pyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3S)-pyrrolidin-3-yl]amino]chromen-2-one;3-indolizin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one

C106H104N22O10 — CID 158453479

About 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-pyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3S)-pyrrolidin-3-yl]amino]chromen-2-one;3-indolizin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one

3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-pyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3S)-pyrrolidin-3-yl]amino]chromen-2-one;3-indolizin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one (PubChem CID 158453479) has the molecular formula C106H104N22O10 and a molecular weight of 1846.14 g/mol. Its IUPAC name is 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-pyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3S)-pyrrolidin-3-yl]amino]chromen-2-one;3-indolizin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one.

Molecular Properties

• Compound Name: 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-pyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3S)-pyrrolidin-3-yl]amino]chromen-2-one;3-indolizin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one
• PubChem CID: 158453479
• Molecular Formula: C106H104N22O10
• Molecular Weight: 1846.14 g/mol
• Exact Mass: 1844.83
• IUPAC Name: 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-pyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3S)-pyrrolidin-3-yl]amino]chromen-2-one;3-indolizin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one
• SMILES: C[C@H]1CN(c2ccc3cc(-c4cc5ccccn5c4)c(=O)oc3c2)CCN1.Cc1cn2cc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)nc2cn1.Cc1cn2cc(-c3cc4ccc(N[C@@H]5CCNC5)cc4oc3=O)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N[C@H]5CCNC5)cc4oc3=O)nc2c(C)n1.Cc1nccn2cc(-c3cc4ccc(N5CCN[C@@H](C)C5)cc4oc3=O)cc12
• InChI: InChI=1S/C22H22N4O2.C22H21N3O2.2C21H21N5O2.C20H19N5O2/c1-14-12-25(7-5-23-14)18-4-3-16-9-19(22(27)28-21(16)11-18)17-10-20-15(2)24-6-8-26(20)13-17;1-15-13-25(9-7-23-15)19-6-5-16-11-20(22(26)27-21(16)12-19)17-10-18-4-2-3-8-24(18)14-17;2*1-12-10-26-11-18(25-20(26)13(2)23-12)17-7-14-3-4-15(8-19(14)28-21(17)27)24-16-5-6-22-9-16;1-13-11-25-12-17(23-19(25)10-22-13)16-8-14-2-3-15(9-18(14)27-20(16)26)24-6-4-21-5-7-24/h3-4,6,8-11,13-14,23H,5,7,12H2,1-2H3;2-6,8,10-12,14-15,23H,7,9,13H2,1H3;2*3-4,7-8,10-11,16,22,24H,5-6,9H2,1-2H3;2-3,8-12,21H,4-7H2,1H3/t14-;15-;2*16-;/m0010./s1
• InChIKey: HEHADROJIDIBBM-HQDOXWROSA-N
• XLogP: 14.73
• TPSA: 357.26 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 32
• Rotatable Bonds: 12
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1846.14
LogP ≤ 5	14.73
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-pyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3S)-pyrrolidin-3-yl]amino]chromen-2-one;3-indolizin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one?

The IUPAC name of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-pyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3S)-pyrrolidin-3-yl]amino]chromen-2-one;3-indolizin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one (CID 158453479) is 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-pyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3S)-pyrrolidin-3-yl]amino]chromen-2-one;3-indolizin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one.

What is the SMILES notation for 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-pyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3S)-pyrrolidin-3-yl]amino]chromen-2-one;3-indolizin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one?

The canonical SMILES for 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-pyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3S)-pyrrolidin-3-yl]amino]chromen-2-one;3-indolizin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one is C[C@H]1CN(c2ccc3cc(-c4cc5ccccn5c4)c(=O)oc3c2)CCN1.Cc1cn2cc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)nc2cn1.Cc1cn2cc(-c3cc4ccc(N[C@@H]5CCNC5)cc4oc3=O)nc2c(C)n1.Cc1cn2cc(-c3cc4ccc(N[C@H]5CCNC5)cc4oc3=O)nc2c(C)n1.Cc1nccn2cc(-c3cc4ccc(N5CCN[C@@H](C)C5)cc4oc3=O)cc12.

What is the InChIKey of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-pyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3S)-pyrrolidin-3-yl]amino]chromen-2-one;3-indolizin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one?

The InChIKey is HEHADROJIDIBBM-HQDOXWROSA-N. The full InChI is InChI=1S/C22H22N4O2.C22H21N3O2.2C21H21N5O2.C20H19N5O2/c1-14-12-25(7-5-23-14)18-4-3-16-9-19(22(27)28-21(16)11-18)17-10-20-15(2)24-6-8-26(20)13-17;1-15-13-25(9-7-23-15)19-6-5-16-11-20(22(26)27-21(16)12-19)17-10-18-4-2-3-8-24(18)14-17;2*1-12-10-26-11-18(25-20(26)13(2)23-12)17-7-14-3-4-15(8-19(14)28-21(17)27)24-16-5-6-22-9-16;1-13-11-25-12-17(23-19(25)10-22-13)16-8-14-2-3-15(9-18(14)27-20(16)26)24-6-4-21-5-7-24/h3-4,6,8-11,13-14,23H,5,7,12H2,1-2H3;2-6,8,10-12,14-15,23H,7,9,13H2,1H3;2*3-4,7-8,10-11,16,22,24H,5-6,9H2,1-2H3;2-3,8-12,21H,4-7H2,1H3/t14-;15-;2*16-;/m0010./s1.

What are the key properties of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-pyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3S)-pyrrolidin-3-yl]amino]chromen-2-one;3-indolizin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one?

3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-pyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3S)-pyrrolidin-3-yl]amino]chromen-2-one;3-indolizin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one has a molecular weight of 1846.14 g/mol, XLogP of 14.73, 12 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3R)-pyrrolidin-3-yl]amino]chromen-2-one;3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-[[(3S)-pyrrolidin-3-yl]amino]chromen-2-one;3-indolizin-2-yl-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(6-methylimidazo[1,2-a]pyrazin-2-yl)-7-piperazin-1-ylchromen-2-one;7-[(3S)-3-methylpiperazin-1-yl]-3-(1-methylpyrrolo[1,2-a]pyrazin-7-yl)chromen-2-one is sourced from PubChem (CID 158453479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).