3-(5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine;3-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine

C98H119FN28 — CID 157088075

IUPAC3-(5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine;3-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
SMILESCN1CCN(C2CCN(c3cnc4c(-c5ccnc6c5CC=C6)cnn4c3)CC2)CC1.Cc1cc(-c2cnn3cc(N4CCC(N5CCN(C)CC5)CC4)cnc23)ccn1.Cc1ccc2ncc(F)c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1.Cc1cccc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)ccnc12
InChIInChI=1S/C26H30FN7.C26H31N7.C24H29N7.C22H29N7/c1-18-3-4-24-21(13-18)25(23(27)16-28-24)22-15-30-34-17-20(14-29-26(22)34)32-7-5-19(6-8-32)33-11-9-31(2)10-12-33;1-19-4-3-5-23-22(6-9-27-25(19)23)24-17-29-33-18-21(16-28-26(24)33)31-10-7-20(8-11-31)32-14-12-30(2)13-15-32;1-28-11-13-30(14-12-28)18-6-9-29(10-7-18)19-15-26-24-22(16-27-31(24)17-19)20-5-8-25-23-4-2-3-21(20)23;1-17-13-18(3-6-23-17)21-15-25-29-16-20(14-24-22(21)29)27-7-4-19(5-8-27)28-11-9-26(2)10-12-28/h3-4,13-17,19H,5-12H2,1-2H3;3-6,9,16-18,20H,7-8,10-15H2,1-2H3;2,4-5,8,15-18H,3,6-7,9-14H2,1H3;3,6,13-16,19H,4-5,7-12H2,1-2H3
InChIKeyAEIBQDWPAYEFQE-UHFFFAOYSA-N
MW1708.22 g/mol
LogP11.97
Rot. Bonds12

About 3-(5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine;3-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine

3-(5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine;3-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 157088075) has the molecular formula C98H119FN28 and a molecular weight of 1708.22 g/mol. Its IUPAC name is 3-(5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine;3-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine;3-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
PubChem CID157088075
Molecular FormulaC98H119FN28
Molecular Weight1708.22 g/mol
Exact Mass1707.02
IUPAC Name3-(5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine;3-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
SMILESCN1CCN(C2CCN(c3cnc4c(-c5ccnc6c5CC=C6)cnn4c3)CC2)CC1.Cc1cc(-c2cnn3cc(N4CCC(N5CCN(C)CC5)CC4)cnc23)ccn1.Cc1ccc2ncc(F)c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1.Cc1cccc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)ccnc12
InChIInChI=1S/C26H30FN7.C26H31N7.C24H29N7.C22H29N7/c1-18-3-4-24-21(13-18)25(23(27)16-28-24)22-15-30-34-17-20(14-29-26(22)34)32-7-5-19(6-8-32)33-11-9-31(2)10-12-33;1-19-4-3-5-23-22(6-9-27-25(19)23)24-17-29-33-18-21(16-28-26(24)33)31-10-7-20(8-11-31)32-14-12-30(2)13-15-32;1-28-11-13-30(14-12-28)18-6-9-29(10-7-18)19-15-26-24-22(16-27-31(24)17-19)20-5-8-25-23-4-2-3-21(20)23;1-17-13-18(3-6-23-17)21-15-25-29-16-20(14-24-22(21)29)27-7-4-19(5-8-27)28-11-9-26(2)10-12-28/h3-4,13-17,19H,5-12H2,1-2H3;3-6,9,16-18,20H,7-8,10-15H2,1-2H3;2,4-5,8,15-18H,3,6-7,9-14H2,1H3;3,6,13-16,19H,4-5,7-12H2,1-2H3
InChIKeyAEIBQDWPAYEFQE-UHFFFAOYSA-N
XLogP11.97
TPSA211.20 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds12
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001708.22
LogP ≤ 511.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 3-(5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine;3-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)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.

Launch Full Analysis

Related Compounds

6-(Difluoro(6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)methyl)quinoline
CID 46911863
PF-04254644
CID 24871823
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
6-((6-(1-methyl-1H-pyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl)methyl)quinoline
CID 44206063
4-[6-[4-(4-Methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 60182364
(R)-2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11538251
(R)-2-([1,2,4]triazolo[1,5-a]pyrimidin-5-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11581252
6-[[5-(1-Methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 24851730
7-(2,6-difluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 44187005
3-(1h-Indazol-4-yl)-7-(2-methyl-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 49836427
7-(2-Fluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836539
3-(1H-indazol-4-yl)-7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)naphthalen-1-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836649

Frequently Asked Questions

What is the IUPAC name of 3-(5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine;3-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine;3-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine (CID 157088075) is 3-(5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine;3-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine;3-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine;3-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine is CN1CCN(C2CCN(c3cnc4c(-c5ccnc6c5CC=C6)cnn4c3)CC2)CC1.Cc1cc(-c2cnn3cc(N4CCC(N5CCN(C)CC5)CC4)cnc23)ccn1.Cc1ccc2ncc(F)c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1.Cc1cccc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)ccnc12.
What is the InChIKey of 3-(5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine;3-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is AEIBQDWPAYEFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7.C26H31N7.C24H29N7.C22H29N7/c1-18-3-4-24-21(13-18)25(23(27)16-28-24)22-15-30-34-17-20(14-29-26(22)34)32-7-5-19(6-8-32)33-11-9-31(2)10-12-33;1-19-4-3-5-23-22(6-9-27-25(19)23)24-17-29-33-18-21(16-28-26(24)33)31-10-7-20(8-11-31)32-14-12-30(2)13-15-32;1-28-11-13-30(14-12-28)18-6-9-29(10-7-18)19-15-26-24-22(16-27-31(24)17-19)20-5-8-25-23-4-2-3-21(20)23;1-17-13-18(3-6-23-17)21-15-25-29-16-20(14-24-22(21)29)27-7-4-19(5-8-27)28-11-9-26(2)10-12-28/h3-4,13-17,19H,5-12H2,1-2H3;3-6,9,16-18,20H,7-8,10-15H2,1-2H3;2,4-5,8,15-18H,3,6-7,9-14H2,1H3;3,6,13-16,19H,4-5,7-12H2,1-2H3.
What are the key properties of 3-(5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine;3-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine?
3-(5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine;3-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 1708.22 g/mol, XLogP of 11.97, 12 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5H-cyclopenta[b]pyridin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidine;3-fluoro-6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;8-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(2-methyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 157088075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).