7-(1,4-diazepan-1-yl)-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-c]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-piperazin-1-ylchromen-2-one;3-imidazo[1,2-c]pyrimidin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one

C121H116N30O12 — CID 157065552

About 7-(1,4-diazepan-1-yl)-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-c]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-piperazin-1-ylchromen-2-one;3-imidazo[1,2-c]pyrimidin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one

7-(1,4-diazepan-1-yl)-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-c]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-piperazin-1-ylchromen-2-one;3-imidazo[1,2-c]pyrimidin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one (PubChem CID 157065552) has the molecular formula C121H116N30O12 and a molecular weight of 2182.46 g/mol. Its IUPAC name is 7-(1,4-diazepan-1-yl)-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-c]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-piperazin-1-ylchromen-2-one;3-imidazo[1,2-c]pyrimidin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one.

Molecular Properties

• Compound Name: 7-(1,4-diazepan-1-yl)-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-c]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-piperazin-1-ylchromen-2-one;3-imidazo[1,2-c]pyrimidin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one
• PubChem CID: 157065552
• Molecular Formula: C121H116N30O12
• Molecular Weight: 2182.46 g/mol
• Exact Mass: 2180.94
• IUPAC Name: 7-(1,4-diazepan-1-yl)-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-c]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-piperazin-1-ylchromen-2-one;3-imidazo[1,2-c]pyrimidin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one
• SMILES: CN1CCCN(c2ccc3cc(-c4cn5ccncc5n4)c(=O)oc3c2)CC1.CN1CCN(c2ccc3cc(-c4cn5ccncc5n4)c(=O)oc3c2)CC1.CN1CCN(c2ccc3cc(-c4cn5cnccc5n4)c(=O)oc3c2)CC1.C[C@@H]1CN(c2ccc3cc(-c4cn5cnccc5n4)c(=O)oc3c2)C[C@H](C)N1.O=c1oc2cc(N3CCCNCC3)ccc2cc1-c1cn2ccncc2n1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cn2ccncc2n1
• InChI: InChI=1S/2C21H21N5O2.3C20H19N5O2.C19H17N5O2/c1-13-9-25(10-14(2)23-13)16-4-3-15-7-17(21(27)28-19(15)8-16)18-11-26-12-22-6-5-20(26)24-18;1-24-6-2-7-25(10-9-24)16-4-3-15-11-17(21(27)28-19(15)12-16)18-14-26-8-5-22-13-20(26)23-18;1-23-6-8-24(9-7-23)15-3-2-14-10-16(20(26)27-18(14)11-15)17-13-25-5-4-21-12-19(25)22-17;1-23-6-8-24(9-7-23)15-3-2-14-10-16(20(26)27-18(14)11-15)17-12-25-13-21-5-4-19(25)22-17;26-20-16(17-13-25-9-6-22-12-19(25)23-17)10-14-2-3-15(11-18(14)27-20)24-7-1-4-21-5-8-24;25-19-15(16-12-24-8-5-21-11-18(24)22-16)9-13-1-2-14(10-17(13)26-19)23-6-3-20-4-7-23/h3-8,11-14,23H,9-10H2,1-2H3;3-5,8,11-14H,2,6-7,9-10H2,1H3;2*2-5,10-13H,6-9H2,1H3;2-3,6,9-13,21H,1,4-5,7-8H2;1-2,5,8-12,20H,3-4,6-7H2/t13-,14+
• InChIKey: ABVIYMPUEUNMOK-LEQWAQJVSA-N
• XLogP: 14.06
• TPSA: 427.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 42
• Rotatable Bonds: 12
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2182.46
LogP ≤ 5	14.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(1,4-diazepan-1-yl)-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-c]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-piperazin-1-ylchromen-2-one;3-imidazo[1,2-c]pyrimidin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one?

The IUPAC name of 7-(1,4-diazepan-1-yl)-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-c]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-piperazin-1-ylchromen-2-one;3-imidazo[1,2-c]pyrimidin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one (CID 157065552) is 7-(1,4-diazepan-1-yl)-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-c]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-piperazin-1-ylchromen-2-one;3-imidazo[1,2-c]pyrimidin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one.

What is the SMILES notation for 7-(1,4-diazepan-1-yl)-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-c]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-piperazin-1-ylchromen-2-one;3-imidazo[1,2-c]pyrimidin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one?

The canonical SMILES for 7-(1,4-diazepan-1-yl)-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-c]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-piperazin-1-ylchromen-2-one;3-imidazo[1,2-c]pyrimidin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one is CN1CCCN(c2ccc3cc(-c4cn5ccncc5n4)c(=O)oc3c2)CC1.CN1CCN(c2ccc3cc(-c4cn5ccncc5n4)c(=O)oc3c2)CC1.CN1CCN(c2ccc3cc(-c4cn5cnccc5n4)c(=O)oc3c2)CC1.C[C@@H]1CN(c2ccc3cc(-c4cn5cnccc5n4)c(=O)oc3c2)C[C@H](C)N1.O=c1oc2cc(N3CCCNCC3)ccc2cc1-c1cn2ccncc2n1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cn2ccncc2n1.

What is the InChIKey of 7-(1,4-diazepan-1-yl)-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-c]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-piperazin-1-ylchromen-2-one;3-imidazo[1,2-c]pyrimidin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one?

The InChIKey is ABVIYMPUEUNMOK-LEQWAQJVSA-N. The full InChI is InChI=1S/2C21H21N5O2.3C20H19N5O2.C19H17N5O2/c1-13-9-25(10-14(2)23-13)16-4-3-15-7-17(21(27)28-19(15)8-16)18-11-26-12-22-6-5-20(26)24-18;1-24-6-2-7-25(10-9-24)16-4-3-15-11-17(21(27)28-19(15)12-16)18-14-26-8-5-22-13-20(26)23-18;1-23-6-8-24(9-7-23)15-3-2-14-10-16(20(26)27-18(14)11-15)17-13-25-5-4-21-12-19(25)22-17;1-23-6-8-24(9-7-23)15-3-2-14-10-16(20(26)27-18(14)11-15)17-12-25-13-21-5-4-19(25)22-17;26-20-16(17-13-25-9-6-22-12-19(25)23-17)10-14-2-3-15(11-18(14)27-20)24-7-1-4-21-5-8-24;25-19-15(16-12-24-8-5-21-11-18(24)22-16)9-13-1-2-14(10-17(13)26-19)23-6-3-20-4-7-23/h3-8,11-14,23H,9-10H2,1-2H3;3-5,8,11-14H,2,6-7,9-10H2,1H3;2*2-5,10-13H,6-9H2,1H3;2-3,6,9-13,21H,1,4-5,7-8H2;1-2,5,8-12,20H,3-4,6-7H2/t13-,14+;;;;;.

What are the key properties of 7-(1,4-diazepan-1-yl)-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-c]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-piperazin-1-ylchromen-2-one;3-imidazo[1,2-c]pyrimidin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one?

7-(1,4-diazepan-1-yl)-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-c]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-piperazin-1-ylchromen-2-one;3-imidazo[1,2-c]pyrimidin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one has a molecular weight of 2182.46 g/mol, XLogP of 14.06, 12 rotatable bonds, 3 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1,4-diazepan-1-yl)-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-c]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrazin-2-yl-7-piperazin-1-ylchromen-2-one;3-imidazo[1,2-c]pyrimidin-2-yl-7-(4-methylpiperazin-1-yl)chromen-2-one is sourced from PubChem (CID 157065552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).