4-[6-[4-(3,4-dimethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;7-fluoro-6-methyl-4-[6-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-fluoro-6-methyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

C106H124F4N28 — CID 157486100

About 4-[6-[4-(3,4-dimethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;7-fluoro-6-methyl-4-[6-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-fluoro-6-methyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline

4-[6-[4-(3,4-dimethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;7-fluoro-6-methyl-4-[6-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-fluoro-6-methyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (PubChem CID 157486100) has the molecular formula C106H124F4N28 and a molecular weight of 1866.35 g/mol. Its IUPAC name is 4-[6-[4-(3,4-dimethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;7-fluoro-6-methyl-4-[6-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-fluoro-6-methyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.

Molecular Properties

• Compound Name: 4-[6-[4-(3,4-dimethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;7-fluoro-6-methyl-4-[6-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-fluoro-6-methyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
• PubChem CID: 157486100
• Molecular Formula: C106H124F4N28
• Molecular Weight: 1866.35 g/mol
• Exact Mass: 1865.05
• IUPAC Name: 4-[6-[4-(3,4-dimethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;7-fluoro-6-methyl-4-[6-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-fluoro-6-methyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
• SMILES: CCN1CCN(C2CCN(c3cnc4c(-c5ccnc6cc(F)c(C)cc56)cnn4c3)CC2)CC1.Cc1cc2c(-c3cnn4cc(N5CCC(N6CCCN(C)CC6)CC5)cnc34)ccnc2cc1F.Cc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)C(C)C6)CC5)cnc34)ccnc2cc1F.Cc1cc2c(-c3cnn4cc(N5CCC(N6CCNCC6)CC5)cnc34)ccnc2cc1F
• InChI: InChI=1S/3C27H32FN7.C25H28FN7/c1-18-12-23-22(4-7-29-26(23)13-25(18)28)24-15-31-35-17-21(14-30-27(24)35)33-8-5-20(6-9-33)34-11-10-32(3)19(2)16-34;1-19-14-23-22(4-7-29-26(23)15-25(19)28)24-17-31-35-18-21(16-30-27(24)35)34-10-5-20(6-11-34)33-9-3-8-32(2)12-13-33;1-3-32-10-12-34(13-11-32)20-5-8-33(9-6-20)21-16-30-27-24(17-31-35(27)18-21)22-4-7-29-26-15-25(28)19(2)14-23(22)26;1-17-12-21-20(2-5-28-24(21)13-23(17)26)22-15-30-33-16-19(14-29-25(22)33)31-8-3-18(4-9-31)32-10-6-27-7-11-32/h4,7,12-15,17,19-20H,5-6,8-11,16H2,1-3H3;2*4,7,14-18,20H,3,5-6,8-13H2,1-2H3;2,5,12-16,18,27H,3-4,6-11H2,1H3
• InChIKey: BWSPJYKQTMWPCL-UHFFFAOYSA-N
• XLogP: 15.26
• TPSA: 219.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 13
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1866.35
LogP ≤ 5	15.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(3,4-dimethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;7-fluoro-6-methyl-4-[6-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-fluoro-6-methyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?

The IUPAC name of 4-[6-[4-(3,4-dimethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;7-fluoro-6-methyl-4-[6-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-fluoro-6-methyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline (CID 157486100) is 4-[6-[4-(3,4-dimethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;7-fluoro-6-methyl-4-[6-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-fluoro-6-methyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline.

What is the SMILES notation for 4-[6-[4-(3,4-dimethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;7-fluoro-6-methyl-4-[6-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-fluoro-6-methyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?

The canonical SMILES for 4-[6-[4-(3,4-dimethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;7-fluoro-6-methyl-4-[6-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-fluoro-6-methyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is CCN1CCN(C2CCN(c3cnc4c(-c5ccnc6cc(F)c(C)cc56)cnn4c3)CC2)CC1.Cc1cc2c(-c3cnn4cc(N5CCC(N6CCCN(C)CC6)CC5)cnc34)ccnc2cc1F.Cc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)C(C)C6)CC5)cnc34)ccnc2cc1F.Cc1cc2c(-c3cnn4cc(N5CCC(N6CCNCC6)CC5)cnc34)ccnc2cc1F.

What is the InChIKey of 4-[6-[4-(3,4-dimethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;7-fluoro-6-methyl-4-[6-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-fluoro-6-methyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?

The InChIKey is BWSPJYKQTMWPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C27H32FN7.C25H28FN7/c1-18-12-23-22(4-7-29-26(23)13-25(18)28)24-15-31-35-17-21(14-30-27(24)35)33-8-5-20(6-9-33)34-11-10-32(3)19(2)16-34;1-19-14-23-22(4-7-29-26(23)15-25(19)28)24-17-31-35-18-21(16-30-27(24)35)34-10-5-20(6-11-34)33-9-3-8-32(2)12-13-33;1-3-32-10-12-34(13-11-32)20-5-8-33(9-6-20)21-16-30-27-24(17-31-35(27)18-21)22-4-7-29-26-15-25(28)19(2)14-23(22)26;1-17-12-21-20(2-5-28-24(21)13-23(17)26)22-15-30-33-16-19(14-29-25(22)33)31-8-3-18(4-9-31)32-10-6-27-7-11-32/h4,7,12-15,17,19-20H,5-6,8-11,16H2,1-3H3;2*4,7,14-18,20H,3,5-6,8-13H2,1-2H3;2,5,12-16,18,27H,3-4,6-11H2,1H3.

What are the key properties of 4-[6-[4-(3,4-dimethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;7-fluoro-6-methyl-4-[6-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-fluoro-6-methyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline?

4-[6-[4-(3,4-dimethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;7-fluoro-6-methyl-4-[6-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-fluoro-6-methyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline has a molecular weight of 1866.35 g/mol, XLogP of 15.26, 13 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-(3,4-dimethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;4-[6-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methylquinoline;7-fluoro-6-methyl-4-[6-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-fluoro-6-methyl-4-[6-(4-piperazin-1-ylpiperidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline is sourced from PubChem (CID 157486100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).