5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminobutyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[1-(3,3-dimethylbutyl)piperidin-2-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-ethylpiperidin-2-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C109H147BrN42O — CID 157098460

IUPAC5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminobutyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[1-(3,3-dimethylbutyl)piperidin-2-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-ethylpiperidin-2-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(N)CCc1cc(N)n2ncc(-c3cnn(C)c3)c2n1.CC(N)CCc1nc2c(-c3cnn(C)c3)cnn2c(N)c1Br.CCN1CCCCC1c1cc(N)n2ncc(-c3cnn(C)c3)c2n1.COc1cc(C)ccc1CNCC1CCC(c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CC1.Cn1cc(-c2cnn3c(N)cc(C4CCC(CN)CC4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc(C4CCCCN4CCC(C)(C)C)nc23)cn1
InChIInChI=1S/C26H33N7O.C21H31N7.2C17H23N7.C14H18BrN7.C14H19N7/c1-17-4-7-20(24(10-17)34-3)13-28-12-18-5-8-19(9-6-18)23-11-25(27)33-26(31-23)22(15-30-33)21-14-29-32(2)16-21;1-21(2,3)8-10-27-9-6-5-7-18(27)17-11-19(22)28-20(25-17)16(13-24-28)15-12-23-26(4)14-15;1-23-10-13(8-20-23)14-9-21-24-16(19)6-15(22-17(14)24)12-4-2-11(7-18)3-5-12;1-3-23-7-5-4-6-15(23)14-8-16(18)24-17(21-14)13(10-20-24)12-9-19-22(2)11-12;1-8(16)3-4-11-12(15)13(17)22-14(20-11)10(6-19-22)9-5-18-21(2)7-9;1-9(15)3-4-11-5-13(16)21-14(19-11)12(7-18-21)10-6-17-20(2)8-10/h4,7,10-11,14-16,18-19,28H,5-6,8-9,12-13,27H2,1-3H3;11-14,18H,5-10,22H2,1-4H3;6,8-12H,2-5,7,18-19H2,1H3;8-11,15H,3-7,18H2,1-2H3;5-8H,3-4,16-17H2,1-2H3;5-9H,3-4,15-16H2,1-2H3
InChIKeyAFMGABBPYXTMNZ-UHFFFAOYSA-N
MW2141.57 g/mol
LogP14.72
Rot. Bonds25

About 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminobutyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[1-(3,3-dimethylbutyl)piperidin-2-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-ethylpiperidin-2-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine

5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminobutyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[1-(3,3-dimethylbutyl)piperidin-2-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-ethylpiperidin-2-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 157098460) has the molecular formula C109H147BrN42O and a molecular weight of 2141.57 g/mol. Its IUPAC name is 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminobutyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[1-(3,3-dimethylbutyl)piperidin-2-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-ethylpiperidin-2-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminobutyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[1-(3,3-dimethylbutyl)piperidin-2-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-ethylpiperidin-2-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID157098460
Molecular FormulaC109H147BrN42O
Molecular Weight2141.57 g/mol
Exact Mass2139.19
IUPAC Name5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminobutyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[1-(3,3-dimethylbutyl)piperidin-2-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-ethylpiperidin-2-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(N)CCc1cc(N)n2ncc(-c3cnn(C)c3)c2n1.CC(N)CCc1nc2c(-c3cnn(C)c3)cnn2c(N)c1Br.CCN1CCCCC1c1cc(N)n2ncc(-c3cnn(C)c3)c2n1.COc1cc(C)ccc1CNCC1CCC(c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CC1.Cn1cc(-c2cnn3c(N)cc(C4CCC(CN)CC4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc(C4CCCCN4CCC(C)(C)C)nc23)cn1
InChIInChI=1S/C26H33N7O.C21H31N7.2C17H23N7.C14H18BrN7.C14H19N7/c1-17-4-7-20(24(10-17)34-3)13-28-12-18-5-8-19(9-6-18)23-11-25(27)33-26(31-23)22(15-30-33)21-14-29-32(2)16-21;1-21(2,3)8-10-27-9-6-5-7-18(27)17-11-19(22)28-20(25-17)16(13-24-28)15-12-23-26(4)14-15;1-23-10-13(8-20-23)14-9-21-24-16(19)6-15(22-17(14)24)12-4-2-11(7-18)3-5-12;1-3-23-7-5-4-6-15(23)14-8-16(18)24-17(21-14)13(10-20-24)12-9-19-22(2)11-12;1-8(16)3-4-11-12(15)13(17)22-14(20-11)10(6-19-22)9-5-18-21(2)7-9;1-9(15)3-4-11-5-13(16)21-14(19-11)12(7-18-21)10-6-17-20(2)8-10/h4,7,10-11,14-16,18-19,28H,5-6,8-9,12-13,27H2,1-3H3;11-14,18H,5-10,22H2,1-4H3;6,8-12H,2-5,7,18-19H2,1H3;8-11,15H,3-7,18H2,1-2H3;5-8H,3-4,16-17H2,1-2H3;5-9H,3-4,15-16H2,1-2H3
InChIKeyAFMGABBPYXTMNZ-UHFFFAOYSA-N
XLogP14.72
TPSA549.98 Ų
H-Bond Donors10
H-Bond Acceptors43
Rotatable Bonds25
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002141.57
LogP ≤ 514.72
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1043

Analyze 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminobutyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[1-(3,3-dimethylbutyl)piperidin-2-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-ethylpiperidin-2-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

7-[2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-4-fluorophenyl]-3-(3-methoxy-4-methylphenyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 70921039
N-(3,5-difluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157068880
N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(2-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(4-fluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methyl-4-pyridinyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-phenyl-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157307599
8-(2-Cyclopropyl-4-methylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(2-ethyl-3-pyridinyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(4-ethylpyrimidin-5-yl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-5-methoxy-4-methylphenyl)ethyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-(3-methyl-1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[5-methyl-2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 158998060
3-[3-fluoro-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(2-methoxyphenyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-(3-propylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 159004197
5-fluoro-2-[2-[4-(3-pyrrolidin-1-ylpropyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenol;5-(2-methoxyphenyl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-(2-methoxypyrimidin-5-yl)-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 161035082
N-(3,5-difluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(3-methoxyphenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methyl-4-pyridinyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 161310149
N-(3-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(2-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(4-fluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methyl-4-pyridinyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-phenyl-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 161802215
3-(5-tert-butyl-5-methyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-[3,5-difluoro-2-(trideuteriomethoxy)phenyl]ethyl]-3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoropyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-6-fluoro-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5,5-dimethyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-[5-fluoro-2-(trifluoromethoxy)-3-pyridinyl]ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(5-ethyl-5-methyl-2H-1,2,4-oxadiazol-3-yl)-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(5-methyl-5-propan-2-yl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]-3-(5-methyl-5-propyl-2H-1,2,4-oxadiazol-3-yl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 165049553
2-[6-fluoro-3-[3-fluoro-5-methoxy-4-[4-[1-[6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-pyridinyl]triazol-4-yl]pyrimidin-2-yl]phenyl]-2-methoxyphenyl]-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]triazol-4-yl]pyrimidin-5-amine
CID 171517239
(3R)-N-{4-[3-(3-methoxyphenyl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl]pyridin-2-yl}quinuclidin-3-amine
CID 44225339
5-[(3S,6S)-6-[[(2-methoxy-4-methylphenyl)methylamino]methyl]piperidin-3-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 57891410

Frequently Asked Questions

What is the IUPAC name of 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminobutyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[1-(3,3-dimethylbutyl)piperidin-2-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-ethylpiperidin-2-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminobutyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[1-(3,3-dimethylbutyl)piperidin-2-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-ethylpiperidin-2-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 157098460) is 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminobutyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[1-(3,3-dimethylbutyl)piperidin-2-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-ethylpiperidin-2-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminobutyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[1-(3,3-dimethylbutyl)piperidin-2-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-ethylpiperidin-2-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminobutyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[1-(3,3-dimethylbutyl)piperidin-2-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-ethylpiperidin-2-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CC(N)CCc1cc(N)n2ncc(-c3cnn(C)c3)c2n1.CC(N)CCc1nc2c(-c3cnn(C)c3)cnn2c(N)c1Br.CCN1CCCCC1c1cc(N)n2ncc(-c3cnn(C)c3)c2n1.COc1cc(C)ccc1CNCC1CCC(c2cc(N)n3ncc(-c4cnn(C)c4)c3n2)CC1.Cn1cc(-c2cnn3c(N)cc(C4CCC(CN)CC4)nc23)cn1.Cn1cc(-c2cnn3c(N)cc(C4CCCCN4CCC(C)(C)C)nc23)cn1.
What is the InChIKey of 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminobutyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[1-(3,3-dimethylbutyl)piperidin-2-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-ethylpiperidin-2-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AFMGABBPYXTMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O.C21H31N7.2C17H23N7.C14H18BrN7.C14H19N7/c1-17-4-7-20(24(10-17)34-3)13-28-12-18-5-8-19(9-6-18)23-11-25(27)33-26(31-23)22(15-30-33)21-14-29-32(2)16-21;1-21(2,3)8-10-27-9-6-5-7-18(27)17-11-19(22)28-20(25-17)16(13-24-28)15-12-23-26(4)14-15;1-23-10-13(8-20-23)14-9-21-24-16(19)6-15(22-17(14)24)12-4-2-11(7-18)3-5-12;1-3-23-7-5-4-6-15(23)14-8-16(18)24-17(21-14)13(10-20-24)12-9-19-22(2)11-12;1-8(16)3-4-11-12(15)13(17)22-14(20-11)10(6-19-22)9-5-18-21(2)7-9;1-9(15)3-4-11-5-13(16)21-14(19-11)12(7-18-21)10-6-17-20(2)8-10/h4,7,10-11,14-16,18-19,28H,5-6,8-9,12-13,27H2,1-3H3;11-14,18H,5-10,22H2,1-4H3;6,8-12H,2-5,7,18-19H2,1H3;8-11,15H,3-7,18H2,1-2H3;5-8H,3-4,16-17H2,1-2H3;5-9H,3-4,15-16H2,1-2H3.
What are the key properties of 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminobutyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[1-(3,3-dimethylbutyl)piperidin-2-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-ethylpiperidin-2-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminobutyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[1-(3,3-dimethylbutyl)piperidin-2-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-ethylpiperidin-2-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2141.57 g/mol, XLogP of 14.72, 25 rotatable bonds, 10 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-aminobutyl)-6-bromo-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(3-aminobutyl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-(aminomethyl)cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[1-(3,3-dimethylbutyl)piperidin-2-yl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-(1-ethylpiperidin-2-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-[4-[[(2-methoxy-4-methylphenyl)methylamino]methyl]cyclohexyl]-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 157098460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).