4-[6-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;4-[6-[4-(4-methoxypiperidin-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrimidin-8-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline

C131H131N23O — CID 157055910

IUPAC4-[6-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;4-[6-[4-(4-methoxypiperidin-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrimidin-8-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline
SMILESC.C.C.C.C.C.CCN1CCN(c2ccc(-c3cnc4c(-c5ccnc6ccccc56)cnn4c3)cc2)CC1.COC1(c2ccc(-c3cnc4c(-c5ccnc6ccccc56)cnn4c3)cc2)CCNCC1.Cc1ccc(-c2ccc3c(-c4ccnc5ccccc45)cnn3c2)cc1.Cc1ccc(-c2cnc3c(-c4ccnc5ccccc45)ncn3c2)cc1.c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)ccc34)ccnc2c1
InChIInChI=1S/C27H26N6.C27H25N5O.C26H23N5.C23H17N3.C22H16N4.6CH4/c1-2-31-13-15-32(16-14-31)22-9-7-20(8-10-22)21-17-29-27-25(18-30-33(27)19-21)23-11-12-28-26-6-4-3-5-24(23)26;1-33-27(11-14-28-15-12-27)21-8-6-19(7-9-21)20-16-30-26-24(17-31-32(26)18-20)22-10-13-29-25-5-3-2-4-23(22)25;1-2-4-25-23(3-1)22(11-12-28-25)24-17-29-31-18-20(7-10-26(24)31)19-5-8-21(9-6-19)30-15-13-27-14-16-30;1-16-6-8-17(9-7-16)18-10-11-23-21(14-25-26(23)15-18)19-12-13-24-22-5-3-2-4-20(19)22;1-15-6-8-16(9-7-15)17-12-24-22-21(25-14-26(22)13-17)19-10-11-23-20-5-3-2-4-18(19)20;;;;;;/h3-12,17-19H,2,13-16H2,1H3;2-10,13,16-18,28H,11-12,14-15H2,1H3;1-12,17-18,27H,13-16H2;2-15H,1H3;2-14H,1H3;6*1H4
InChIKeyAATFUDGDJUYUTP-UHFFFAOYSA-N
MW2043.65 g/mol
LogP28.48
Rot. Bonds15

About 4-[6-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;4-[6-[4-(4-methoxypiperidin-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrimidin-8-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline

4-[6-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;4-[6-[4-(4-methoxypiperidin-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrimidin-8-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline (PubChem CID 157055910) has the molecular formula C131H131N23O and a molecular weight of 2043.65 g/mol. Its IUPAC name is 4-[6-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;4-[6-[4-(4-methoxypiperidin-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrimidin-8-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline.

Molecular Properties

Compound Name4-[6-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;4-[6-[4-(4-methoxypiperidin-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrimidin-8-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline
PubChem CID157055910
Molecular FormulaC131H131N23O
Molecular Weight2043.65 g/mol
Exact Mass2042.09
IUPAC Name4-[6-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;4-[6-[4-(4-methoxypiperidin-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrimidin-8-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline
SMILESC.C.C.C.C.C.CCN1CCN(c2ccc(-c3cnc4c(-c5ccnc6ccccc56)cnn4c3)cc2)CC1.COC1(c2ccc(-c3cnc4c(-c5ccnc6ccccc56)cnn4c3)cc2)CCNCC1.Cc1ccc(-c2ccc3c(-c4ccnc5ccccc45)cnn3c2)cc1.Cc1ccc(-c2cnc3c(-c4ccnc5ccccc45)ncn3c2)cc1.c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)ccc34)ccnc2c1
InChIInChI=1S/C27H26N6.C27H25N5O.C26H23N5.C23H17N3.C22H16N4.6CH4/c1-2-31-13-15-32(16-14-31)22-9-7-20(8-10-22)21-17-29-27-25(18-30-33(27)19-21)23-11-12-28-26-6-4-3-5-24(23)26;1-33-27(11-14-28-15-12-27)21-8-6-19(7-9-21)20-16-30-26-24(17-31-32(26)18-20)22-10-13-29-25-5-3-2-4-23(22)25;1-2-4-25-23(3-1)22(11-12-28-25)24-17-29-31-18-20(7-10-26(24)31)19-5-8-21(9-6-19)30-15-13-27-14-16-30;1-16-6-8-17(9-7-16)18-10-11-23-21(14-25-26(23)15-18)19-12-13-24-22-5-3-2-4-20(19)22;1-15-6-8-16(9-7-15)17-12-24-22-21(25-14-26(22)13-17)19-10-11-23-20-5-3-2-4-18(19)20;;;;;;/h3-12,17-19H,2,13-16H2,1H3;2-10,13,16-18,28H,11-12,14-15H2,1H3;1-12,17-18,27H,13-16H2;2-15H,1H3;2-14H,1H3;6*1H4
InChIKeyAATFUDGDJUYUTP-UHFFFAOYSA-N
XLogP28.48
TPSA232.63 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms155
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002043.65
LogP ≤ 528.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze 4-[6-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;4-[6-[4-(4-methoxypiperidin-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrimidin-8-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-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

N-[4-(difluoromethoxy)phenyl]-2-(2-methylbenzimidazol-1-yl)pyrimidin-4-amine;2-(5,6-difluoro-2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methoxyphenyl)-2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine;2-(2-methylbenzimidazol-1-yl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine;N-(4-methylphenyl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-amine
CID 158071324
N-[4-(difluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-(1,3,5-trimethylpyrazol-4-yl)pyrazin-2-amine;6-(2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;6-(2-methylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine;N-[4-(trifluoromethoxy)phenyl]-6-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrazin-2-amine
CID 159047998
2-[3-[4-(4,4-difluoropiperidin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(5-fluoro-3-pyridinyl)-2H-indazol-7-yl]-4-[2-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]morpholine
CID 162575076
4-[6-[4-(4-Methoxypiperidin-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 44223246
Methyl 3-(4-methylphenyl)-8-quinolin-4-ylpyrrolo[1,2-a]pyrimidine-6-carboxylate;7-methyl-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 123169769
1-[2-[4-[6-[1-[[4-[4-[5-(1-Hydroxy-1-phenylethyl)pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-3-ium-3-yl]methyl]pyrazol-4-yl]pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]-1-phenylethanol
CID 123910954
N,N-dimethyl-1-[5-[3-[7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-7-[4-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]morpholin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]methanamine
CID 137099120
N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-5-[[4,6,6-trimethyl-2-[6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)isoquinolin-1-yl]furo[3,4-c]pyrazol-4-yl]methyl]imidazo[2,1-a]isoquinolin-8-amine
CID 137551807
6-[6-[4-(4-Methoxypiperidin-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 140196477
2-[3-(1H-indazol-3-yl)-5-(1H-indol-2-yl)-6-(2H-pyran-2-yl)-7-pyrazin-2-yl-1-pyrimidin-2-ylindolizin-2-yl]-7H-purine
CID 141050674
5-(1H-indazol-3-yl)-3-indolizin-1-yl-4-(7H-purin-2-yl)-6-(2H-pyran-2-yl)-7-pyrazin-2-yl-8-pyrimidin-2-yl-1-quinolin-2-ylisoquinoline
CID 141213212
4-(8-indolizin-1-yl-7H-purin-2-yl)-2-(2H-isoindol-1-yl)-5-phthalazin-1-yl-5-pteridin-2-yl-4-pyridazin-3-yl-3-(triazin-4-yl)oxadiazolidine
CID 141223370

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;4-[6-[4-(4-methoxypiperidin-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrimidin-8-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline?
The IUPAC name of 4-[6-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;4-[6-[4-(4-methoxypiperidin-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrimidin-8-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline (CID 157055910) is 4-[6-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;4-[6-[4-(4-methoxypiperidin-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrimidin-8-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 4-[6-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;4-[6-[4-(4-methoxypiperidin-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrimidin-8-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline?
The canonical SMILES for 4-[6-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;4-[6-[4-(4-methoxypiperidin-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrimidin-8-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline is C.C.C.C.C.C.CCN1CCN(c2ccc(-c3cnc4c(-c5ccnc6ccccc56)cnn4c3)cc2)CC1.COC1(c2ccc(-c3cnc4c(-c5ccnc6ccccc56)cnn4c3)cc2)CCNCC1.Cc1ccc(-c2ccc3c(-c4ccnc5ccccc45)cnn3c2)cc1.Cc1ccc(-c2cnc3c(-c4ccnc5ccccc45)ncn3c2)cc1.c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)ccc34)ccnc2c1.
What is the InChIKey of 4-[6-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;4-[6-[4-(4-methoxypiperidin-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrimidin-8-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline?
The InChIKey is AATFUDGDJUYUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6.C27H25N5O.C26H23N5.C23H17N3.C22H16N4.6CH4/c1-2-31-13-15-32(16-14-31)22-9-7-20(8-10-22)21-17-29-27-25(18-30-33(27)19-21)23-11-12-28-26-6-4-3-5-24(23)26;1-33-27(11-14-28-15-12-27)21-8-6-19(7-9-21)20-16-30-26-24(17-31-32(26)18-20)22-10-13-29-25-5-3-2-4-23(22)25;1-2-4-25-23(3-1)22(11-12-28-25)24-17-29-31-18-20(7-10-26(24)31)19-5-8-21(9-6-19)30-15-13-27-14-16-30;1-16-6-8-17(9-7-16)18-10-11-23-21(14-25-26(23)15-18)19-12-13-24-22-5-3-2-4-20(19)22;1-15-6-8-16(9-7-15)17-12-24-22-21(25-14-26(22)13-17)19-10-11-23-20-5-3-2-4-18(19)20;;;;;;/h3-12,17-19H,2,13-16H2,1H3;2-10,13,16-18,28H,11-12,14-15H2,1H3;1-12,17-18,27H,13-16H2;2-15H,1H3;2-14H,1H3;6*1H4.
What are the key properties of 4-[6-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;4-[6-[4-(4-methoxypiperidin-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrimidin-8-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline?
4-[6-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;4-[6-[4-(4-methoxypiperidin-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrimidin-8-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline has a molecular weight of 2043.65 g/mol, XLogP of 28.48, 15 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(4-ethylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;methane;4-[6-[4-(4-methoxypiperidin-4-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[3-(4-methylphenyl)imidazo[1,5-a]pyrimidin-8-yl]quinoline;4-[6-(4-methylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 157055910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).