6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline;4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine

C79H93N21O4 — CID 157222642

About 6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline;4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine

6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline;4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine (PubChem CID 157222642) has the molecular formula C79H93N21O4 and a molecular weight of 1400.76 g/mol. Its IUPAC name is 6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline;4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine.

Molecular Properties

• Compound Name: 6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline;4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine
• PubChem CID: 157222642
• Molecular Formula: C79H93N21O4
• Molecular Weight: 1400.76 g/mol
• Exact Mass: 1399.77
• IUPAC Name: 6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline;4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine
• SMILES: CN1CCN(C2CCN(c3cnc4c(-c5ccnc6cc7c(cc56)OCO7)cnn4c3)CC2)CC1.COc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)ccnc2cc1C.Cc1cc(-c2cnn3cc(N4CCN(CCN5CCOCC5)CC4)cnc23)c2ccccc2n1
• InChI: InChI=1S/C27H33N7O.C26H29N7O2.C26H31N7O/c1-19-14-25-23(15-26(19)35-3)22(4-7-28-25)24-17-30-34-18-21(16-29-27(24)34)32-8-5-20(6-9-32)33-12-10-31(2)11-13-33;1-30-8-10-32(11-9-30)18-3-6-31(7-4-18)19-14-28-26-22(15-29-33(26)16-19)20-2-5-27-23-13-25-24(12-21(20)23)34-17-35-25;1-20-16-23(22-4-2-3-5-25(22)29-20)24-18-28-33-19-21(17-27-26(24)33)32-10-8-30(9-11-32)6-7-31-12-14-34-15-13-31/h4,7,14-18,20H,5-6,8-13H2,1-3H3;2,5,12-16,18H,3-4,6-11,17H2,1H3;2-5,16-19H,6-15H2,1H3
• InChIKey: ATECIRHSMAMFFA-UHFFFAOYSA-N
• XLogP: 9.07
• TPSA: 195.32 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 12
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1400.76
LogP ≤ 5	9.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline;4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine?

The IUPAC name of 6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline;4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine (CID 157222642) is 6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline;4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine.

What is the SMILES notation for 6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline;4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine?

The canonical SMILES for 6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline;4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine is CN1CCN(C2CCN(c3cnc4c(-c5ccnc6cc7c(cc56)OCO7)cnn4c3)CC2)CC1.COc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)ccnc2cc1C.Cc1cc(-c2cnn3cc(N4CCN(CCN5CCOCC5)CC4)cnc23)c2ccccc2n1.

What is the InChIKey of 6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline;4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine?

The InChIKey is ATECIRHSMAMFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N7O.C26H29N7O2.C26H31N7O/c1-19-14-25-23(15-26(19)35-3)22(4-7-28-25)24-17-30-34-18-21(16-29-27(24)34)32-8-5-20(6-9-32)33-12-10-31(2)11-13-33;1-30-8-10-32(11-9-30)18-3-6-31(7-4-18)19-14-28-26-22(15-29-33(26)16-19)20-2-5-27-23-13-25-24(12-21(20)23)34-17-35-25;1-20-16-23(22-4-2-3-5-25(22)29-20)24-18-28-33-19-21(17-27-26(24)33)32-10-8-30(9-11-32)6-7-31-12-14-34-15-13-31/h4,7,14-18,20H,5-6,8-13H2,1-3H3;2,5,12-16,18H,3-4,6-11,17H2,1H3;2-5,16-19H,6-15H2,1H3.

What are the key properties of 6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline;4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine?

6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline;4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine has a molecular weight of 1400.76 g/mol, XLogP of 9.07, 12 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-[1,3]dioxolo[4,5-g]quinoline;4-[2-[4-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperazin-1-yl]ethyl]morpholine is sourced from PubChem (CID 157222642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).