7-(1,4-diazepan-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3R)-3-methylpiperazin-1-yl]-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-7-(4-propylpiperazin-1-yl)chromen-2-one

C114H118N20O10 — CID 158889349

About 7-(1,4-diazepan-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3R)-3-methylpiperazin-1-yl]-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-7-(4-propylpiperazin-1-yl)chromen-2-one

7-(1,4-diazepan-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3R)-3-methylpiperazin-1-yl]-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-7-(4-propylpiperazin-1-yl)chromen-2-one (PubChem CID 158889349) has the molecular formula C114H118N20O10 and a molecular weight of 1928.33 g/mol. Its IUPAC name is 7-(1,4-diazepan-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3R)-3-methylpiperazin-1-yl]-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-7-(4-propylpiperazin-1-yl)chromen-2-one.

Molecular Properties

• Compound Name: 7-(1,4-diazepan-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3R)-3-methylpiperazin-1-yl]-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-7-(4-propylpiperazin-1-yl)chromen-2-one
• PubChem CID: 158889349
• Molecular Formula: C114H118N20O10
• Molecular Weight: 1928.33 g/mol
• Exact Mass: 1926.93
• IUPAC Name: 7-(1,4-diazepan-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3R)-3-methylpiperazin-1-yl]-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-7-(4-propylpiperazin-1-yl)chromen-2-one
• SMILES: CCCN1CCN(c2ccc3cc(-c4cc5cc(C)ccn5n4)c(=O)oc3c2)CC1.CCN1CCN(c2ccc3cc(-c4cc5cc(C)ccn5n4)c(=O)oc3c2)CC1.Cc1ccn2nc(-c3cc4ccc(N5CCCN(C)CC5)cc4oc3=O)cc2c1.Cc1ccn2nc(-c3cc4ccc(N5CCCNCC5)cc4oc3=O)cc2c1.Cc1ccn2nc(-c3cc4ccc(N5CCN[C@H](C)C5)cc4oc3=O)cc2c1
• InChI: InChI=1S/C24H26N4O2.2C23H24N4O2.2C22H22N4O2/c1-3-7-26-9-11-27(12-10-26)19-5-4-18-14-21(24(29)30-23(18)16-19)22-15-20-13-17(2)6-8-28(20)25-22;1-16-6-9-27-19(12-16)14-21(24-27)20-13-17-4-5-18(15-22(17)29-23(20)28)26-8-3-7-25(2)10-11-26;1-3-25-8-10-26(11-9-25)18-5-4-17-13-20(23(28)29-22(17)15-18)21-14-19-12-16(2)6-7-27(19)24-21;1-14-5-7-26-18(9-14)11-20(24-26)19-10-16-3-4-17(12-21(16)28-22(19)27)25-8-6-23-15(2)13-25;1-15-5-9-26-18(11-15)13-20(24-26)19-12-16-3-4-17(14-21(16)28-22(19)27)25-8-2-6-23-7-10-25/h4-6,8,13-16H,3,7,9-12H2,1-2H3;4-6,9,12-15H,3,7-8,10-11H2,1-2H3;4-7,12-15H,3,8-11H2,1-2H3;3-5,7,9-12,15,23H,6,8,13H2,1-2H3;3-5,9,11-14,23H,2,6-8,10H2,1H3/t;;;15-;/m...1./s1
• InChIKey: JEAJOLDJMNEXDP-IJPZNPOWSA-N
• XLogP: 17.49
• TPSA: 287.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 13
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1928.33
LogP ≤ 5	17.49
H-Bond Donors ≤ 5	2
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 7-(1,4-diazepan-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3R)-3-methylpiperazin-1-yl]-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-7-(4-propylpiperazin-1-yl)chromen-2-one?

The IUPAC name of 7-(1,4-diazepan-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3R)-3-methylpiperazin-1-yl]-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-7-(4-propylpiperazin-1-yl)chromen-2-one (CID 158889349) is 7-(1,4-diazepan-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3R)-3-methylpiperazin-1-yl]-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-7-(4-propylpiperazin-1-yl)chromen-2-one.

What is the SMILES notation for 7-(1,4-diazepan-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3R)-3-methylpiperazin-1-yl]-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-7-(4-propylpiperazin-1-yl)chromen-2-one?

The canonical SMILES for 7-(1,4-diazepan-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3R)-3-methylpiperazin-1-yl]-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-7-(4-propylpiperazin-1-yl)chromen-2-one is CCCN1CCN(c2ccc3cc(-c4cc5cc(C)ccn5n4)c(=O)oc3c2)CC1.CCN1CCN(c2ccc3cc(-c4cc5cc(C)ccn5n4)c(=O)oc3c2)CC1.Cc1ccn2nc(-c3cc4ccc(N5CCCN(C)CC5)cc4oc3=O)cc2c1.Cc1ccn2nc(-c3cc4ccc(N5CCCNCC5)cc4oc3=O)cc2c1.Cc1ccn2nc(-c3cc4ccc(N5CCN[C@H](C)C5)cc4oc3=O)cc2c1.

What is the InChIKey of 7-(1,4-diazepan-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3R)-3-methylpiperazin-1-yl]-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-7-(4-propylpiperazin-1-yl)chromen-2-one?

The InChIKey is JEAJOLDJMNEXDP-IJPZNPOWSA-N. The full InChI is InChI=1S/C24H26N4O2.2C23H24N4O2.2C22H22N4O2/c1-3-7-26-9-11-27(12-10-26)19-5-4-18-14-21(24(29)30-23(18)16-19)22-15-20-13-17(2)6-8-28(20)25-22;1-16-6-9-27-19(12-16)14-21(24-27)20-13-17-4-5-18(15-22(17)29-23(20)28)26-8-3-7-25(2)10-11-26;1-3-25-8-10-26(11-9-25)18-5-4-17-13-20(23(28)29-22(17)15-18)21-14-19-12-16(2)6-7-27(19)24-21;1-14-5-7-26-18(9-14)11-20(24-26)19-10-16-3-4-17(12-21(16)28-22(19)27)25-8-6-23-15(2)13-25;1-15-5-9-26-18(11-15)13-20(24-26)19-12-16-3-4-17(14-21(16)28-22(19)27)25-8-2-6-23-7-10-25/h4-6,8,13-16H,3,7,9-12H2,1-2H3;4-6,9,12-15H,3,7-8,10-11H2,1-2H3;4-7,12-15H,3,8-11H2,1-2H3;3-5,7,9-12,15,23H,6,8,13H2,1-2H3;3-5,9,11-14,23H,2,6-8,10H2,1H3/t;;;15-;/m...1./s1.

What are the key properties of 7-(1,4-diazepan-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3R)-3-methylpiperazin-1-yl]-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-7-(4-propylpiperazin-1-yl)chromen-2-one?

7-(1,4-diazepan-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3R)-3-methylpiperazin-1-yl]-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-7-(4-propylpiperazin-1-yl)chromen-2-one has a molecular weight of 1928.33 g/mol, XLogP of 17.49, 13 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1,4-diazepan-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-(4-methyl-1,4-diazepan-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;7-[(3R)-3-methylpiperazin-1-yl]-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one;3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)-7-(4-propylpiperazin-1-yl)chromen-2-one is sourced from PubChem (CID 158889349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).