6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;bis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline)

C133H160N34O — CID 158938719

IUPAC6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;bis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline)
SMILESCOc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)ccc34)ccnc2cc1C.Cc1cc(-c2cnn3cc(N4CCC(N5CCN(C)CC5)CC4)cnc23)c2ccccc2n1.Cc1cc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2cc1C.Cc1ccc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1.Cc1ccc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1
InChIInChI=1S/C28H34N6O.C27H33N7.3C26H31N7/c1-20-16-26-24(17-28(20)35-3)23(6-9-29-26)25-18-30-34-19-22(4-5-27(25)34)32-10-7-21(8-11-32)33-14-12-31(2)13-15-33;1-19-14-24-23(4-7-28-26(24)15-20(19)2)25-17-30-34-18-22(16-29-27(25)34)32-8-5-21(6-9-32)33-12-10-31(3)11-13-33;2*1-19-3-4-25-23(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;1-19-15-23(22-5-3-4-6-25(22)29-19)24-17-28-33-18-21(16-27-26(24)33)31-9-7-20(8-10-31)32-13-11-30(2)12-14-32/h4-6,9,16-19,21H,7-8,10-15H2,1-3H3;4,7,14-18,21H,5-6,8-13H2,1-3H3;2*3-5,8,15-18,20H,6-7,9-14H2,1-2H3;3-6,15-18,20H,7-14H2,1-2H3
InChIKeyJJZBGYBFWZTVMX-UHFFFAOYSA-N
MW2250.98 g/mol
LogP18.27
Rot. Bonds16

About 6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;bis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline)

6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;bis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline) (PubChem CID 158938719) has the molecular formula C133H160N34O and a molecular weight of 2250.98 g/mol. Its IUPAC name is 6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;bis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline).

Molecular Properties

Compound Name6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;bis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline)
PubChem CID158938719
Molecular FormulaC133H160N34O
Molecular Weight2250.98 g/mol
Exact Mass2249.35
IUPAC Name6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;bis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline)
SMILESCOc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)ccc34)ccnc2cc1C.Cc1cc(-c2cnn3cc(N4CCC(N5CCN(C)CC5)CC4)cnc23)c2ccccc2n1.Cc1cc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2cc1C.Cc1ccc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1.Cc1ccc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1
InChIInChI=1S/C28H34N6O.C27H33N7.3C26H31N7/c1-20-16-26-24(17-28(20)35-3)23(6-9-29-26)25-18-30-34-19-22(4-5-27(25)34)32-10-7-21(8-11-32)33-14-12-31(2)13-15-33;1-19-14-24-23(4-7-28-26(24)15-20(19)2)25-17-30-34-18-22(16-29-27(25)34)32-8-5-21(6-9-32)33-12-10-31(3)11-13-33;2*1-19-3-4-25-23(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;1-19-15-23(22-5-3-4-6-25(22)29-19)24-17-28-33-18-21(16-27-26(24)33)31-9-7-20(8-10-31)32-13-11-30(2)12-14-32/h4-6,9,16-19,21H,7-8,10-15H2,1-3H3;4,7,14-18,21H,5-6,8-13H2,1-3H3;2*3-5,8,15-18,20H,6-7,9-14H2,1-2H3;3-6,15-18,20H,7-14H2,1-2H3
InChIKeyJJZBGYBFWZTVMX-UHFFFAOYSA-N
XLogP18.27
TPSA260.34 Ų
H-Bond Donors
H-Bond Acceptors35
Rotatable Bonds16
Heavy Atoms168
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002250.98
LogP ≤ 518.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1035

Analyze 6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;bis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ker-047
CID 142464264
4-[6-[4-[(1R,4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline
CID 142464134
1-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-N,N-dimethylpyrrolidin-3-amine
CID 142464140
1-[1-[3-(7-Fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-4-methylpiperidin-4-amine
CID 142464153
4-[6-[4-(2,4-Dimethylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-7-fluoro-6-methoxyquinoline
CID 142464177
7-Fluoro-6-methoxy-4-[6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464180
4-[6-[4-(4-Methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-(trifluoromethoxy)quinoline
CID 142464200
7-Fluoro-4-[6-[3-fluoro-4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-6-methoxyquinoline
CID 142464204
N'-[1-[3-(7-fluoro-6-methoxyquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 142464222
7-Fluoro-6-methoxy-4-[6-(4-pyridin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464227
5-Fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464230
7-fluoro-6-methoxy-4-[6-[4-[(1R,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464231

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;bis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline)?
The IUPAC name of 6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;bis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline) (CID 158938719) is 6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;bis(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 6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;bis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline)?
The canonical SMILES for 6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;bis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline) is COc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)ccc34)ccnc2cc1C.Cc1cc(-c2cnn3cc(N4CCC(N5CCN(C)CC5)CC4)cnc23)c2ccccc2n1.Cc1cc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2cc1C.Cc1ccc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1.Cc1ccc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1.
What is the InChIKey of 6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;bis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline)?
The InChIKey is JJZBGYBFWZTVMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O.C27H33N7.3C26H31N7/c1-20-16-26-24(17-28(20)35-3)23(6-9-29-26)25-18-30-34-19-22(4-5-27(25)34)32-10-7-21(8-11-32)33-14-12-31(2)13-15-33;1-19-14-24-23(4-7-28-26(24)15-20(19)2)25-17-30-34-18-22(16-29-27(25)34)32-8-5-21(6-9-32)33-12-10-31(3)11-13-33;2*1-19-3-4-25-23(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;1-19-15-23(22-5-3-4-6-25(22)29-19)24-17-28-33-18-21(16-27-26(24)33)31-9-7-20(8-10-31)32-13-11-30(2)12-14-32/h4-6,9,16-19,21H,7-8,10-15H2,1-3H3;4,7,14-18,21H,5-6,8-13H2,1-3H3;2*3-5,8,15-18,20H,6-7,9-14H2,1-2H3;3-6,15-18,20H,7-14H2,1-2H3.
What are the key properties of 6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;bis(6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline)?
6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;bis(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 2250.98 g/mol, XLogP of 18.27, 16 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-methoxy-7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyridin-3-yl]quinoline;2-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;bis(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 158938719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).