6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-6-ol;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine

C101H121N29O — CID 160584218

IUPAC6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-6-ol;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESCN1CCN(C2CCN(c3cnc4c(-c5ccnc6[nH]ccc56)cnn4c3)CC2)CC1.Cc1cc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2cc1O.Cc1ccc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)ccnc2c1.Cc1ccc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1
InChIInChI=1S/C26H31N7O.2C26H31N7.C23H28N8/c1-18-13-24-22(14-25(18)34)21(3-6-27-24)23-16-29-33-17-20(15-28-26(23)33)31-7-4-19(5-8-31)32-11-9-30(2)10-12-32;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;1-19-3-4-23-22(5-8-27-25(23)15-19)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;1-28-10-12-30(13-11-28)17-4-8-29(9-5-17)18-14-26-23-21(15-27-31(23)16-18)19-2-6-24-22-20(19)3-7-25-22/h3,6,13-17,19,34H,4-5,7-12H2,1-2H3;2*3-5,8,15-18,20H,6-7,9-14H2,1-2H3;2-3,6-7,14-17H,4-5,8-13H2,1H3,(H,24,25)
InChIKeyRCEFHQHCAVUXGH-UHFFFAOYSA-N
MW1757.28 g/mol
LogP12.60
Rot. Bonds12

About 6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-6-ol;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine

6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-6-ol;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine (PubChem CID 160584218) has the molecular formula C101H121N29O and a molecular weight of 1757.28 g/mol. Its IUPAC name is 6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-6-ol;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-6-ol;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
PubChem CID160584218
Molecular FormulaC101H121N29O
Molecular Weight1757.28 g/mol
Exact Mass1756.03
IUPAC Name6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-6-ol;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
SMILESCN1CCN(C2CCN(c3cnc4c(-c5ccnc6[nH]ccc56)cnn4c3)CC2)CC1.Cc1cc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2cc1O.Cc1ccc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)ccnc2c1.Cc1ccc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1
InChIInChI=1S/C26H31N7O.2C26H31N7.C23H28N8/c1-18-13-24-22(14-25(18)34)21(3-6-27-24)23-16-29-33-17-20(15-28-26(23)33)31-7-4-19(5-8-31)32-11-9-30(2)10-12-32;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;1-19-3-4-23-22(5-8-27-25(23)15-19)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;1-28-10-12-30(13-11-28)17-4-8-29(9-5-17)18-14-26-23-21(15-27-31(23)16-18)19-2-6-24-22-20(19)3-7-25-22/h3,6,13-17,19,34H,4-5,7-12H2,1-2H3;2*3-5,8,15-18,20H,6-7,9-14H2,1-2H3;2-3,6-7,14-17H,4-5,8-13H2,1H3,(H,24,25)
InChIKeyRCEFHQHCAVUXGH-UHFFFAOYSA-N
XLogP12.60
TPSA247.22 Ų
H-Bond Donors2
H-Bond Acceptors29
Rotatable Bonds12
Heavy Atoms131
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001757.28
LogP ≤ 512.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1029

Analyze 6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-6-ol;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

3-[4-amino-1-[[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 90345084
2-(dimethylamino)-N-[5-[5-[4-(3-fluoro-5-hydroxyphenyl)-1H-indol-2-yl]-7-[2-[5-(1H-pyrazol-4-yl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-1H-pyrrolo[3,2-b]pyridin-5-yl]-8H-pyrido[2,3-d]pyridazin-3-yl]-3-pyridinyl]acetamide
CID 145245549
2-[3-[[(3S)-3-fluoro-2-[2-[5-[3-hydroxy-4-[3-[3-(propan-2-ylamino)pyrrolidin-1-yl]-1,2,4-triazin-6-yl]phenyl]tetrazol-2-yl]ethyl]-2,6,6-trimethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1-methylindazol-5-yl)phenol
CID 156042565
5-(2-Methyl-4-pyridinyl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;5-pyrimidin-4-yl-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-[2-(trifluoromethyl)-4-pyridinyl]phenol
CID 158056631
5-(1H-pyrazol-4-yl)-2-[7-(2,2,6,6-tetramethylpiperidin-4-yl)imidazo[4,5-c]pyridazin-3-yl]pyridin-3-ol;5-(1H-pyrazol-4-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]pyridin-3-ol;2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]phenol
CID 160256572
N-(5-chloro-8-fluoronaphthalen-2-yl)-1H-pyrazolo[4,3-b]pyridin-3-amine;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-(2,5-dimethylpyrazol-3-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;4-fluoro-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)naphthalen-1-ol;1-(2-methylpyrazol-3-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-1H-indazol-3-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 162116092
3-[1-(2-Azabicyclo[2.1.1]hexan-5-yl)-2-ethyl-6-fluoro-7-(3-hydroxynaphthalen-1-yl)-4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)imidazo[4,5-c]quinolin-8-yl]propanenitrile
CID 166478501
5-[6-[3-[[5-[6-[3-(2-Fluoroethylamino)pyrrolidin-1-yl]-4-methyl-1,8-naphthyridin-2-yl]-6-hydroxy-2-methylindazol-7-yl]methyl]-5-methylpiperazin-1-yl]-5-methyl-1,8-naphthyridin-2-yl]-2,7-dimethylindazol-6-ol
CID 168978341
5-[2-[[4-[[6-[4-(4-fluoro-1H-pyrazol-5-yl)-2-hydroxyphenyl]-1,2,4-triazin-3-yl]-methylamino]-2,6,6-trimethylpiperidin-2-yl]methyl]tetrazolo[1,5-a]pyridin-4-ium-7-yl]-2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
CID 170256715
4-[9-phenyl-8-[4-[[4-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-4-ium-1-yl]phenol
CID 90820096
3-[3-[3-[[4-Amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]quinolin-2-yl]-4-pyridinyl]-5-[4-amino-1-[(2-pyridin-3-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol
CID 91545288
4-[2-[[9-propan-2-yl-2-[6-[3-[2-[(9-propan-2-yl-2-pyridin-3-ylpurin-6-yl)amino]ethyl]-2H-indazol-5-yl]-3-pyridinyl]purin-6-yl]amino]propyl]phenol
CID 123382029

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-6-ol;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-6-ol;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine (CID 160584218) is 6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-6-ol;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-6-ol;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-6-ol;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine is CN1CCN(C2CCN(c3cnc4c(-c5ccnc6[nH]ccc56)cnn4c3)CC2)CC1.Cc1cc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2cc1O.Cc1ccc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)ccnc2c1.Cc1ccc2nccc(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cnc34)c2c1.
What is the InChIKey of 6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-6-ol;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is RCEFHQHCAVUXGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O.2C26H31N7.C23H28N8/c1-18-13-24-22(14-25(18)34)21(3-6-27-24)23-16-29-33-17-20(15-28-26(23)33)31-7-4-19(5-8-31)32-11-9-30(2)10-12-32;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;1-19-3-4-23-22(5-8-27-25(23)15-19)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;1-28-10-12-30(13-11-28)17-4-8-29(9-5-17)18-14-26-23-21(15-27-31(23)16-18)19-2-6-24-22-20(19)3-7-25-22/h3,6,13-17,19,34H,4-5,7-12H2,1-2H3;2*3-5,8,15-18,20H,6-7,9-14H2,1-2H3;2-3,6-7,14-17H,4-5,8-13H2,1H3,(H,24,25).
What are the key properties of 6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-6-ol;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine?
6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-6-ol;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 1757.28 g/mol, XLogP of 12.60, 12 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;7-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinolin-6-ol;6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 160584218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).