7-(3,3-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3R)-3-methylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one

C126H130N22O12S2 — CID 157183218

About 7-(3,3-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3R)-3-methylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one

7-(3,3-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3R)-3-methylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one (PubChem CID 157183218) has the molecular formula C126H130N22O12S2 and a molecular weight of 2208.70 g/mol. Its IUPAC name is 7-(3,3-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3R)-3-methylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one.

Molecular Properties

• Compound Name: 7-(3,3-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3R)-3-methylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one
• PubChem CID: 157183218
• Molecular Formula: C126H130N22O12S2
• Molecular Weight: 2208.70 g/mol
• Exact Mass: 2206.97
• IUPAC Name: 7-(3,3-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3R)-3-methylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one
• SMILES: Cc1ccn2nc(-c3cc4ccc(N5CCN(C)CC5)cc4oc3=O)cc2c1.Cc1ccn2nc(-c3cc4ccc(N5CCNC(C)(C)C5)cc4oc3=O)cc2c1.Cc1ccn2nc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)cc2c1.Cc1ccn2nc(-c3cc4ccc(N5C[C@@H](C)N[C@@H](C)C5)cc4oc3=O)cc2c1.Cc1csc(-c2cc3ccc(N4CCNC(C)(C)C4)cc3oc2=O)n1.Cc1csc(-c2cc3ccc(N4CCN[C@H](C)C4)cc3oc2=O)n1
• InChI: InChI=1S/2C23H24N4O2.C22H22N4O2.C21H20N4O2.C19H21N3O2S.C18H19N3O2S/c1-15-6-8-27-18(10-15)12-20(25-27)19-11-16-4-5-17(13-21(16)29-22(19)28)26-9-7-24-23(2,3)14-26;1-14-6-7-27-19(8-14)10-21(25-27)20-9-17-4-5-18(11-22(17)29-23(20)28)26-12-15(2)24-16(3)13-26;1-15-5-6-26-18(11-15)13-20(23-26)19-12-16-3-4-17(14-21(16)28-22(19)27)25-9-7-24(2)8-10-25;1-14-4-7-25-17(10-14)12-19(23-25)18-11-15-2-3-16(13-20(15)27-21(18)26)24-8-5-22-6-9-24;1-12-10-25-17(21-12)15-8-13-4-5-14(9-16(13)24-18(15)23)22-7-6-20-19(2,3)11-22;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/h4-6,8,10-13,24H,7,9,14H2,1-3H3;4-11,15-16,24H,12-13H2,1-3H3;3-6,11-14H,7-10H2,1-2H3;2-4,7,10-13,22H,5-6,8-9H2,1H3;4-5,8-10,20H,6-7,11H2,1-3H3;3-4,7-8,10-11,19H,5-6,9H2,1-2H3/t;15-,16+;;;;11-/m.....1/s1
• InChIKey: AOUOCGGMDQRJLG-LNSQRHONSA-N
• XLogP: 19.64
• TPSA: 359.07 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 12
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2208.70
LogP ≤ 5	19.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(3,3-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3R)-3-methylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one?

The IUPAC name of 7-(3,3-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3R)-3-methylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one (CID 157183218) is 7-(3,3-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3R)-3-methylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one.

What is the SMILES notation for 7-(3,3-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3R)-3-methylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one?

The canonical SMILES for 7-(3,3-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3R)-3-methylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one is Cc1ccn2nc(-c3cc4ccc(N5CCN(C)CC5)cc4oc3=O)cc2c1.Cc1ccn2nc(-c3cc4ccc(N5CCNC(C)(C)C5)cc4oc3=O)cc2c1.Cc1ccn2nc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)cc2c1.Cc1ccn2nc(-c3cc4ccc(N5C[C@@H](C)N[C@@H](C)C5)cc4oc3=O)cc2c1.Cc1csc(-c2cc3ccc(N4CCNC(C)(C)C4)cc3oc2=O)n1.Cc1csc(-c2cc3ccc(N4CCN[C@H](C)C4)cc3oc2=O)n1.

What is the InChIKey of 7-(3,3-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3R)-3-methylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one?

The InChIKey is AOUOCGGMDQRJLG-LNSQRHONSA-N. The full InChI is InChI=1S/2C23H24N4O2.C22H22N4O2.C21H20N4O2.C19H21N3O2S.C18H19N3O2S/c1-15-6-8-27-18(10-15)12-20(25-27)19-11-16-4-5-17(13-21(16)29-22(19)28)26-9-7-24-23(2,3)14-26;1-14-6-7-27-19(8-14)10-21(25-27)20-9-17-4-5-18(11-22(17)29-23(20)28)26-12-15(2)24-16(3)13-26;1-15-5-6-26-18(11-15)13-20(23-26)19-12-16-3-4-17(14-21(16)28-22(19)27)25-9-7-24(2)8-10-25;1-14-4-7-25-17(10-14)12-19(23-25)18-11-15-2-3-16(13-20(15)27-21(18)26)24-8-5-22-6-9-24;1-12-10-25-17(21-12)15-8-13-4-5-14(9-16(13)24-18(15)23)22-7-6-20-19(2,3)11-22;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/h4-6,8,10-13,24H,7,9,14H2,1-3H3;4-11,15-16,24H,12-13H2,1-3H3;3-6,11-14H,7-10H2,1-2H3;2-4,7,10-13,22H,5-6,8-9H2,1H3;4-5,8-10,20H,6-7,11H2,1-3H3;3-4,7-8,10-11,19H,5-6,9H2,1-2H3/t;15-,16+;;;;11-/m.....1/s1.

What are the key properties of 7-(3,3-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3R)-3-methylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one?

7-(3,3-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3R)-3-methylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one has a molecular weight of 2208.70 g/mol, XLogP of 19.64, 12 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3,3-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(3,3-dimethylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3R)-3-methylpiperazin-1-yl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one;3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one is sourced from PubChem (CID 157183218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).