3-(1,3-benzodioxol-5-yl)-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-methylsulfanyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine

C59H64N14O2S2 — CID 123248887

IUPAC3-(1,3-benzodioxol-5-yl)-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-methylsulfanyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCSc1ccc(-c2cnn3c(N)cc(C4CCCCC4)nc23)cn1.Cc1nc(-c2ccccc2)sc1-c1cnn2c(N)cc(C3CCCCC3)nc12.Nc1cc(C2CCCCC2)nc2c(-c3ccc4c(c3)OCO4)cnn12
InChIInChI=1S/C22H23N5S.C19H20N4O2.C18H21N5S/c1-14-20(28-22(25-14)16-10-6-3-7-11-16)17-13-24-27-19(23)12-18(26-21(17)27)15-8-4-2-5-9-15;20-18-9-15(12-4-2-1-3-5-12)22-19-14(10-21-23(18)19)13-6-7-16-17(8-13)25-11-24-16;1-24-17-8-7-13(10-20-17)14-11-21-23-16(19)9-15(22-18(14)23)12-5-3-2-4-6-12/h3,6-7,10-13,15H,2,4-5,8-9,23H2,1H3;6-10,12H,1-5,11,20H2;7-12H,2-6,19H2,1H3
InChIKeySTANLRCCEYUWFJ-UHFFFAOYSA-N
MW1065.39 g/mol
LogP13.36
Rot. Bonds8

About 3-(1,3-benzodioxol-5-yl)-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-methylsulfanyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-(1,3-benzodioxol-5-yl)-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-methylsulfanyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 123248887) has the molecular formula C59H64N14O2S2 and a molecular weight of 1065.39 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-methylsulfanyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-methylsulfanyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID123248887
Molecular FormulaC59H64N14O2S2
Molecular Weight1065.39 g/mol
Exact Mass1064.48
IUPAC Name3-(1,3-benzodioxol-5-yl)-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-methylsulfanyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCSc1ccc(-c2cnn3c(N)cc(C4CCCCC4)nc23)cn1.Cc1nc(-c2ccccc2)sc1-c1cnn2c(N)cc(C3CCCCC3)nc12.Nc1cc(C2CCCCC2)nc2c(-c3ccc4c(c3)OCO4)cnn12
InChIInChI=1S/C22H23N5S.C19H20N4O2.C18H21N5S/c1-14-20(28-22(25-14)16-10-6-3-7-11-16)17-13-24-27-19(23)12-18(26-21(17)27)15-8-4-2-5-9-15;20-18-9-15(12-4-2-1-3-5-12)22-19-14(10-21-23(18)19)13-6-7-16-17(8-13)25-11-24-16;1-24-17-8-7-13(10-20-17)14-11-21-23-16(19)9-15(22-18(14)23)12-5-3-2-4-6-12/h3,6-7,10-13,15H,2,4-5,8-9,23H2,1H3;6-10,12H,1-5,11,20H2;7-12H,2-6,19H2,1H3
InChIKeySTANLRCCEYUWFJ-UHFFFAOYSA-N
XLogP13.36
TPSA212.87 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001065.39
LogP ≤ 513.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 3-(1,3-benzodioxol-5-yl)-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-methylsulfanyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

7-(2,4-Difluorophenyl)-8-(2,6-dimethyl-4-pyridinyl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(2,4-difluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-2-methyl-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(4-fluoro-2-methoxyphenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;2-methyl-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;7-(1-methylpyrazol-3-yl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine;8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-7-(1,3-thiazol-2-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
CID 158035203
3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazol-2-yl]morpholine;4-[4-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazol-2-yl]morpholine
CID 158668254
N-tert-butyl-3-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-methylbenzenesulfonamide;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(piperidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2,2-difluoro-1,3-benzodioxol-5-yl)-5-[5-(pyrrolidin-1-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridine;4-[4-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazol-2-yl]morpholine;4-[5-[3-(2,2-difluoro-1,3-benzodioxol-5-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1,3-thiazol-2-yl]morpholine
CID 161875248
N-(1,3-benzodioxol-5-ylmethyl)thieno[3,2-d]pyrimidin-4-amine;N-cyclopentyl-6-ethylthieno[2,3-d]pyrimidin-4-amine;1-(3-methoxyphenyl)-N,N-dimethyl-N'-[2-(trifluoromethyl)quinazolin-4-yl]ethane-1,2-diamine;N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]thieno[3,2-d]pyrimidin-4-amine;N-(1-pyridin-2-ylethyl)-5,6-dihydrothieno[2,3-d]pyrimidin-4-amine
CID 163779022
2-[6-[3-[2-(3,4-Dimethoxyphenyl)phenyl]-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
CID 22032578
3-[[5-(1,3-Benzodioxol-5-yl)-1,3-thiazol-2-yl]methyl]-9-thia-2,3,5,7-tetrazatricyclo[6.3.1.04,12]dodeca-1,4(12),5,7-tetraen-6-amine
CID 59311441
2-[6-[1-[Cyclohexa-2,4-dien-1-yl(diphenyl)methyl]-3-[4-(3,4-dimethoxyphenyl)phenyl]pyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
CID 68811500
3-[4-[5-[7-Amino-3-(1,3-benzodioxol-5-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-yl]-2-phenyl-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 71108422
2-[6-[3-[4-(3,4-Dimethoxyphenyl)phenyl]-1-tritylpyrazol-4-yl]imidazo[1,2-a]pyridin-3-yl]-1,3-thiazole
CID 91514651
2-[2-(1,3-Benzodioxol-5-yl)ethyl]-4-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-thiazole;bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyrimidin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole)
CID 157283898
2-[[2-(2,3-Dihydro-1-benzothiophen-2-yl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(2-fluoro-4-pyridinyl)-5-propyl-1,3-thiazol-4-yl]methylsulfanyl]-6-methylpyrimidin-4-amine;2-[[2-(4-methoxy-3-propoxyphenyl)-5-methyl-1,3-thiazol-4-yl]methylsulfanyl]pyrimidine-4,6-diamine
CID 157539303
2-[2-(1,3-Benzodioxol-5-yl)ethyl]-4-(3-methylimidazo[1,2-a]pyridin-2-yl)-1,3-thiazole;bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[2-(4-methylphenyl)ethyl]-1,3-thiazole);bis(4-(3-methylimidazo[1,2-a]pyridin-2-yl)-2-[(4-methylphenyl)methyl]-1,3-thiazole)
CID 157933362

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-methylsulfanyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-methylsulfanyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 123248887) is 3-(1,3-benzodioxol-5-yl)-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-methylsulfanyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-methylsulfanyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-methylsulfanyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine is CSc1ccc(-c2cnn3c(N)cc(C4CCCCC4)nc23)cn1.Cc1nc(-c2ccccc2)sc1-c1cnn2c(N)cc(C3CCCCC3)nc12.Nc1cc(C2CCCCC2)nc2c(-c3ccc4c(c3)OCO4)cnn12.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-methylsulfanyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is STANLRCCEYUWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5S.C19H20N4O2.C18H21N5S/c1-14-20(28-22(25-14)16-10-6-3-7-11-16)17-13-24-27-19(23)12-18(26-21(17)27)15-8-4-2-5-9-15;20-18-9-15(12-4-2-1-3-5-12)22-19-14(10-21-23(18)19)13-6-7-16-17(8-13)25-11-24-16;1-24-17-8-7-13(10-20-17)14-11-21-23-16(19)9-15(22-18(14)23)12-5-3-2-4-6-12/h3,6-7,10-13,15H,2,4-5,8-9,23H2,1H3;6-10,12H,1-5,11,20H2;7-12H,2-6,19H2,1H3.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-methylsulfanyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-(1,3-benzodioxol-5-yl)-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-methylsulfanyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1065.39 g/mol, XLogP of 13.36, 8 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(6-methylsulfanyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 123248887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).