7-fluoro-6-methyl-4-[6-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(7-fluoro-6-methylquinolin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine;3-(3-methylphenyl)-6-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;3-(3-methylphenyl)-6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine

C92H108F2N26 — CID 157340187

IUPAC7-fluoro-6-methyl-4-[6-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(7-fluoro-6-methylquinolin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine;3-(3-methylphenyl)-6-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;3-(3-methylphenyl)-6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc2c(-c3c(N)nn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)ccnc2cc1F.Cc1cc2c(-c3cnn4cc(N5CCC(N6C[C@@H]7C[C@H]6CN7C)CC5)cnc34)ccnc2cc1F.Cc1cccc(-c2cnn3cc(N4CCN(C5CCNCC5)CC4)cnc23)c1.Cc1cccc(-c2cnn3cc(N4CCNCC4)cnc23)c1
InChIInChI=1S/C27H30FN7.C26H31FN8.C22H28N6.C17H19N5/c1-17-9-23-22(3-6-29-26(23)11-25(17)28)24-13-31-35-16-21(12-30-27(24)35)33-7-4-18(5-8-33)34-15-19-10-20(34)14-32(19)2;1-17-13-21-20(3-6-29-23(21)14-22(17)27)24-25(28)31-35-16-19(15-30-26(24)35)33-7-4-18(5-8-33)34-11-9-32(2)10-12-34;1-17-3-2-4-18(13-17)21-15-25-28-16-20(14-24-22(21)28)27-11-9-26(10-12-27)19-5-7-23-8-6-19;1-13-3-2-4-14(9-13)16-11-20-22-12-15(10-19-17(16)22)21-7-5-18-6-8-21/h3,6,9,11-13,16,18-20H,4-5,7-8,10,14-15H2,1-2H3;3,6,13-16,18H,4-5,7-12H2,1-2H3,(H2,28,31);2-4,13-16,19,23H,5-12H2,1H3;2-4,9-12,18H,5-8H2,1H3/t19-,20-;;;/m0.../s1
InChIKeyBGHOKSRQCYCZMV-KEHAGZLWSA-N
MW1616.05 g/mol
LogP11.63
Rot. Bonds11

About 7-fluoro-6-methyl-4-[6-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(7-fluoro-6-methylquinolin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine;3-(3-methylphenyl)-6-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;3-(3-methylphenyl)-6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine

7-fluoro-6-methyl-4-[6-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(7-fluoro-6-methylquinolin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine;3-(3-methylphenyl)-6-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;3-(3-methylphenyl)-6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 157340187) has the molecular formula C92H108F2N26 and a molecular weight of 1616.05 g/mol. Its IUPAC name is 7-fluoro-6-methyl-4-[6-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(7-fluoro-6-methylquinolin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine;3-(3-methylphenyl)-6-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;3-(3-methylphenyl)-6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-fluoro-6-methyl-4-[6-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(7-fluoro-6-methylquinolin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine;3-(3-methylphenyl)-6-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;3-(3-methylphenyl)-6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID157340187
Molecular FormulaC92H108F2N26
Molecular Weight1616.05 g/mol
Exact Mass1614.92
IUPAC Name7-fluoro-6-methyl-4-[6-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(7-fluoro-6-methylquinolin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine;3-(3-methylphenyl)-6-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;3-(3-methylphenyl)-6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
SMILESCc1cc2c(-c3c(N)nn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)ccnc2cc1F.Cc1cc2c(-c3cnn4cc(N5CCC(N6C[C@@H]7C[C@H]6CN7C)CC5)cnc34)ccnc2cc1F.Cc1cccc(-c2cnn3cc(N4CCN(C5CCNCC5)CC4)cnc23)c1.Cc1cccc(-c2cnn3cc(N4CCNCC4)cnc23)c1
InChIInChI=1S/C27H30FN7.C26H31FN8.C22H28N6.C17H19N5/c1-17-9-23-22(3-6-29-26(23)11-25(17)28)24-13-31-35-16-21(12-30-27(24)35)33-7-4-18(5-8-33)34-15-19-10-20(34)14-32(19)2;1-17-13-21-20(3-6-29-23(21)14-22(17)27)24-25(28)31-35-16-19(15-30-26(24)35)33-7-4-18(5-8-33)34-11-9-32(2)10-12-34;1-17-3-2-4-18(13-17)21-15-25-28-16-20(14-24-22(21)28)27-11-9-26(10-12-27)19-5-7-23-8-6-19;1-13-3-2-4-14(9-13)16-11-20-22-12-15(10-19-17(16)22)21-7-5-18-6-8-21/h3,6,9,11-13,16,18-20H,4-5,7-8,10,14-15H2,1-2H3;3,6,13-16,18H,4-5,7-12H2,1-2H3,(H2,28,31);2-4,13-16,19,23H,5-12H2,1H3;2-4,9-12,18H,5-8H2,1H3/t19-,20-;;;/m0.../s1
InChIKeyBGHOKSRQCYCZMV-KEHAGZLWSA-N
XLogP11.63
TPSA225.78 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds11
Heavy Atoms120
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001616.05
LogP ≤ 511.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Analyze 7-fluoro-6-methyl-4-[6-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(7-fluoro-6-methylquinolin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine;3-(3-methylphenyl)-6-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;3-(3-methylphenyl)-6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine with MolForge

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Related Compounds

4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
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
7-(2,3-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 49836748
7-(2,5-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 49836749
3-(1H-indazol-4-yl)-2-(pyridin-4-yl)-7-(2,3,5,6-tetrafluoro-4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)pyrazolo[1,5-a]pyrimidine
CID 49836854
3-(7-fluoro-1H-indazol-4-yl)-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 49836857
3-(7-fluoro-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-ylpyrazolo[1,5-a]pyrimidine
CID 49836964
3-(7-fluoro-1H-indazol-4-yl)-7-[2-fluoro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836965
7-(2,6-Difluoro-4-((1s,4s)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-3-(7-fluoro-1h-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836966

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-methyl-4-[6-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(7-fluoro-6-methylquinolin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine;3-(3-methylphenyl)-6-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;3-(3-methylphenyl)-6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-fluoro-6-methyl-4-[6-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(7-fluoro-6-methylquinolin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine;3-(3-methylphenyl)-6-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;3-(3-methylphenyl)-6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine (CID 157340187) is 7-fluoro-6-methyl-4-[6-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(7-fluoro-6-methylquinolin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine;3-(3-methylphenyl)-6-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;3-(3-methylphenyl)-6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-fluoro-6-methyl-4-[6-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(7-fluoro-6-methylquinolin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine;3-(3-methylphenyl)-6-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;3-(3-methylphenyl)-6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-fluoro-6-methyl-4-[6-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(7-fluoro-6-methylquinolin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine;3-(3-methylphenyl)-6-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;3-(3-methylphenyl)-6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine is Cc1cc2c(-c3c(N)nn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)ccnc2cc1F.Cc1cc2c(-c3cnn4cc(N5CCC(N6C[C@@H]7C[C@H]6CN7C)CC5)cnc34)ccnc2cc1F.Cc1cccc(-c2cnn3cc(N4CCN(C5CCNCC5)CC4)cnc23)c1.Cc1cccc(-c2cnn3cc(N4CCNCC4)cnc23)c1.
What is the InChIKey of 7-fluoro-6-methyl-4-[6-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(7-fluoro-6-methylquinolin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine;3-(3-methylphenyl)-6-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;3-(3-methylphenyl)-6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is BGHOKSRQCYCZMV-KEHAGZLWSA-N. The full InChI is InChI=1S/C27H30FN7.C26H31FN8.C22H28N6.C17H19N5/c1-17-9-23-22(3-6-29-26(23)11-25(17)28)24-13-31-35-16-21(12-30-27(24)35)33-7-4-18(5-8-33)34-15-19-10-20(34)14-32(19)2;1-17-13-21-20(3-6-29-23(21)14-22(17)27)24-25(28)31-35-16-19(15-30-26(24)35)33-7-4-18(5-8-33)34-11-9-32(2)10-12-34;1-17-3-2-4-18(13-17)21-15-25-28-16-20(14-24-22(21)28)27-11-9-26(10-12-27)19-5-7-23-8-6-19;1-13-3-2-4-14(9-13)16-11-20-22-12-15(10-19-17(16)22)21-7-5-18-6-8-21/h3,6,9,11-13,16,18-20H,4-5,7-8,10,14-15H2,1-2H3;3,6,13-16,18H,4-5,7-12H2,1-2H3,(H2,28,31);2-4,13-16,19,23H,5-12H2,1H3;2-4,9-12,18H,5-8H2,1H3/t19-,20-;;;/m0.../s1.
What are the key properties of 7-fluoro-6-methyl-4-[6-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(7-fluoro-6-methylquinolin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine;3-(3-methylphenyl)-6-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;3-(3-methylphenyl)-6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine?
7-fluoro-6-methyl-4-[6-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(7-fluoro-6-methylquinolin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine;3-(3-methylphenyl)-6-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;3-(3-methylphenyl)-6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 1616.05 g/mol, XLogP of 11.63, 11 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methyl-4-[6-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(7-fluoro-6-methylquinolin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine;3-(3-methylphenyl)-6-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;3-(3-methylphenyl)-6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 157340187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).