2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(4-methoxy-3,5-dimethylphenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine

C105H129F2N27O — CID 158127500

IUPAC2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(4-methoxy-3,5-dimethylphenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCOc1c(C)cc(-c2cnn3cc(N4CCC(N5CCN(C)CC5)CC4)cnc23)cc1C.Cc1cc(F)c2nc(C)cc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1.Cc1cc(F)c2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1.Cc1ccc2nc(C)cc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1
InChIInChI=1S/C27H32FN7.C27H33N7.C26H30FN7.C25H34N6O/c1-18-12-23-22(14-19(2)31-26(23)25(28)13-18)24-16-30-35-17-21(15-29-27(24)35)33-6-4-20(5-7-33)34-10-8-32(3)9-11-34;1-19-4-5-26-24(14-19)23(15-20(2)30-26)25-17-29-34-18-22(16-28-27(25)34)32-8-6-21(7-9-32)33-12-10-31(3)11-13-33;1-18-13-22-21(3-6-28-25(22)24(27)14-18)23-16-30-34-17-20(15-29-26(23)34)32-7-4-19(5-8-32)33-11-9-31(2)10-12-33;1-18-13-20(14-19(2)24(18)32-4)23-16-27-31-17-22(15-26-25(23)31)29-7-5-21(6-8-29)30-11-9-28(3)10-12-30/h12-17,20H,4-11H2,1-3H3;4-5,14-18,21H,6-13H2,1-3H3;3,6,13-17,19H,4-5,7-12H2,1-2H3;13-17,21H,5-12H2,1-4H3
InChIKeyFSJCOZMCEBQSIP-UHFFFAOYSA-N
MW1823.37 g/mol
LogP14.54
Rot. Bonds13

About 2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(4-methoxy-3,5-dimethylphenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine

2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(4-methoxy-3,5-dimethylphenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine (PubChem CID 158127500) has the molecular formula C105H129F2N27O and a molecular weight of 1823.37 g/mol. Its IUPAC name is 2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(4-methoxy-3,5-dimethylphenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(4-methoxy-3,5-dimethylphenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
PubChem CID158127500
Molecular FormulaC105H129F2N27O
Molecular Weight1823.37 g/mol
Exact Mass1822.08
IUPAC Name2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(4-methoxy-3,5-dimethylphenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine
SMILESCOc1c(C)cc(-c2cnn3cc(N4CCC(N5CCN(C)CC5)CC4)cnc23)cc1C.Cc1cc(F)c2nc(C)cc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1.Cc1cc(F)c2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1.Cc1ccc2nc(C)cc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1
InChIInChI=1S/C27H32FN7.C27H33N7.C26H30FN7.C25H34N6O/c1-18-12-23-22(14-19(2)31-26(23)25(28)13-18)24-16-30-35-17-21(15-29-27(24)35)33-6-4-20(5-7-33)34-10-8-32(3)9-11-34;1-19-4-5-26-24(14-19)23(15-20(2)30-26)25-17-29-34-18-22(16-28-27(25)34)32-8-6-21(7-9-32)33-12-10-31(3)11-13-33;1-18-13-22-21(3-6-28-25(22)24(27)14-18)23-16-30-34-17-20(15-29-26(23)34)32-7-4-19(5-8-32)33-11-9-31(2)10-12-33;1-18-13-20(14-19(2)24(18)32-4)23-16-27-31-17-22(15-26-25(23)31)29-7-5-21(6-8-29)30-11-9-28(3)10-12-30/h12-17,20H,4-11H2,1-3H3;4-5,14-18,21H,6-13H2,1-3H3;3,6,13-17,19H,4-5,7-12H2,1-2H3;13-17,21H,5-12H2,1-4H3
InChIKeyFSJCOZMCEBQSIP-UHFFFAOYSA-N
XLogP14.54
TPSA207.54 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds13
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001823.37
LogP ≤ 514.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(4-methoxy-3,5-dimethylphenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine with MolForge

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

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Related Compounds

Ker-047
CID 142464264
3-(4-fluoro-3-methoxyphenyl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 46879519
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
7-Fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1-oxidoquinolin-1-ium
CID 142464159
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]-7-(trifluoromethoxy)quinoline
CID 142464190
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
7-Fluoro-6-methoxy-4-[6-(4-methylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 142464207

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(4-methoxy-3,5-dimethylphenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(4-methoxy-3,5-dimethylphenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine (CID 158127500) is 2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(4-methoxy-3,5-dimethylphenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(4-methoxy-3,5-dimethylphenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(4-methoxy-3,5-dimethylphenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine is COc1c(C)cc(-c2cnn3cc(N4CCC(N5CCN(C)CC5)CC4)cnc23)cc1C.Cc1cc(F)c2nc(C)cc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1.Cc1cc(F)c2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1.Cc1ccc2nc(C)cc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1.
What is the InChIKey of 2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(4-methoxy-3,5-dimethylphenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is FSJCOZMCEBQSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN7.C27H33N7.C26H30FN7.C25H34N6O/c1-18-12-23-22(14-19(2)31-26(23)25(28)13-18)24-16-30-35-17-21(15-29-27(24)35)33-6-4-20(5-7-33)34-10-8-32(3)9-11-34;1-19-4-5-26-24(14-19)23(15-20(2)30-26)25-17-29-34-18-22(16-28-27(25)34)32-8-6-21(7-9-32)33-12-10-31(3)11-13-33;1-18-13-22-21(3-6-28-25(22)24(27)14-18)23-16-30-34-17-20(15-29-26(23)34)32-7-4-19(5-8-32)33-11-9-31(2)10-12-33;1-18-13-20(14-19(2)24(18)32-4)23-16-27-31-17-22(15-26-25(23)31)29-7-5-21(6-8-29)30-11-9-28(3)10-12-30/h12-17,20H,4-11H2,1-3H3;4-5,14-18,21H,6-13H2,1-3H3;3,6,13-17,19H,4-5,7-12H2,1-2H3;13-17,21H,5-12H2,1-4H3.
What are the key properties of 2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(4-methoxy-3,5-dimethylphenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine?
2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(4-methoxy-3,5-dimethylphenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 1823.37 g/mol, XLogP of 14.54, 13 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-2,6-dimethyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(4-methoxy-3,5-dimethylphenyl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 158127500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).