7-fluoro-6-methyl-4-[6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

C51H61FN14 — CID 160759263

About 7-fluoro-6-methyl-4-[6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

7-fluoro-6-methyl-4-[6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (PubChem CID 160759263) has the molecular formula C51H61FN14 and a molecular weight of 889.15 g/mol. Its IUPAC name is 7-fluoro-6-methyl-4-[6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.

Molecular Properties

• Compound Name: 7-fluoro-6-methyl-4-[6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
• PubChem CID: 160759263
• Molecular Formula: C51H61FN14
• Molecular Weight: 889.15 g/mol
• Exact Mass: 888.52
• IUPAC Name: 7-fluoro-6-methyl-4-[6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
• SMILES: C.Cc1cc2c(-c3cnn4cc(N5CC(N6CCN(C)CC6)C5)cnc34)ccnc2cc1F.Cc1ccc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1
• InChI: InChI=1S/C26H31N7.C24H26FN7.CH4/c1-19-3-4-25-23(15-19)22(5-8-27-25)24-17-29-33-18-21(16-28-26(24)33)31-9-6-20(7-10-31)32-13-11-30(2)12-14-32;1-16-9-20-19(3-4-26-23(20)10-22(16)25)21-12-28-32-15-17(11-27-24(21)32)31-13-18(14-31)30-7-5-29(2)6-8-30;/h3-5,8,15-18,20H,6-7,9-14H2,1-2H3;3-4,9-12,15,18H,5-8,13-14H2,1-2H3;1H4
• InChIKey: RXVNWLPTCXZIEY-UHFFFAOYSA-N
• XLogP: 6.93
• TPSA: 105.60 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	889.15
LogP ≤ 5	6.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methyl-4-[6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?

The IUPAC name of 7-fluoro-6-methyl-4-[6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (CID 160759263) is 7-fluoro-6-methyl-4-[6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.

What is the SMILES notation for 7-fluoro-6-methyl-4-[6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?

The canonical SMILES for 7-fluoro-6-methyl-4-[6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is C.Cc1cc2c(-c3cnn4cc(N5CC(N6CCN(C)CC6)C5)cnc34)ccnc2cc1F.Cc1ccc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1.

What is the InChIKey of 7-fluoro-6-methyl-4-[6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?

The InChIKey is RXVNWLPTCXZIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7.C24H26FN7.CH4/c1-19-3-4-25-23(15-19)22(5-8-27-25)24-17-29-33-18-21(16-28-26(24)33)31-9-6-20(7-10-31)32-13-11-30(2)12-14-32;1-16-9-20-19(3-4-26-23(20)10-22(16)25)21-12-28-32-15-17(11-27-24(21)32)31-13-18(14-31)30-7-5-29(2)6-8-30;/h3-5,8,15-18,20H,6-7,9-14H2,1-2H3;3-4,9-12,15,18H,5-8,13-14H2,1-2H3;1H4.

What are the key properties of 7-fluoro-6-methyl-4-[6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?

7-fluoro-6-methyl-4-[6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline has a molecular weight of 889.15 g/mol, XLogP of 6.93, 6 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 7-fluoro-6-methyl-4-[6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is sourced from PubChem (CID 160759263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).