3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2,4-oxadiazol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine

C107H126N44O4S3 — CID 161317040

IUPAC3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2,4-oxadiazol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)Cc1ncc(-c2cnn3c(N)cc(C4CCCNC4)nc23)s1.CSc1ncc(-c2cnn3c(N)cc(C4CCCNC4)nc23)cn1.Nc1cc(C2CCCNC2)nc2c(-c3ccc4c(c3)OCO4)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3ccn[nH]3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3cnco3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3cncs3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3ncon3)cnn12
InChIInChI=1S/C18H24N6S.C18H19N5O2.C16H19N7S.C14H17N7.C14H16N6O.C14H16N6S.C13H15N7O/c1-11(2)6-17-21-10-15(25-17)13-9-22-24-16(19)7-14(23-18(13)24)12-4-3-5-20-8-12;19-17-7-14(12-2-1-5-20-8-12)22-18-13(9-21-23(17)18)11-3-4-15-16(6-11)25-10-24-15;1-24-16-19-7-11(8-20-16)12-9-21-23-14(17)5-13(22-15(12)23)10-3-2-4-18-6-10;15-13-6-12(9-2-1-4-16-7-9)19-14-10(8-18-21(13)14)11-3-5-17-20-11;2*15-13-4-11(9-2-1-3-16-5-9)19-14-10(6-18-20(13)14)12-7-17-8-21-12;14-11-4-10(8-2-1-3-15-5-8)18-13-9(6-17-20(11)13)12-16-7-21-19-12/h7,9-12,20H,3-6,8,19H2,1-2H3;3-4,6-7,9,12,20H,1-2,5,8,10,19H2;5,7-10,18H,2-4,6,17H2,1H3;3,5-6,8-9,16H,1-2,4,7,15H2,(H,17,20);2*4,6-9,16H,1-3,5,15H2;4,6-8,15H,1-3,5,14H2
InChIKeyVJQBSDDHAWYRCB-UHFFFAOYSA-N
MW2188.69 g/mol
LogP12.56
Rot. Bonds17

About 3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2,4-oxadiazol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine

3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2,4-oxadiazol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 161317040) has the molecular formula C107H126N44O4S3 and a molecular weight of 2188.69 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2,4-oxadiazol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2,4-oxadiazol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID161317040
Molecular FormulaC107H126N44O4S3
Molecular Weight2188.69 g/mol
Exact Mass2187.02
IUPAC Name3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2,4-oxadiazol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)Cc1ncc(-c2cnn3c(N)cc(C4CCCNC4)nc23)s1.CSc1ncc(-c2cnn3c(N)cc(C4CCCNC4)nc23)cn1.Nc1cc(C2CCCNC2)nc2c(-c3ccc4c(c3)OCO4)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3ccn[nH]3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3cnco3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3cncs3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3ncon3)cnn12
InChIInChI=1S/C18H24N6S.C18H19N5O2.C16H19N7S.C14H17N7.C14H16N6O.C14H16N6S.C13H15N7O/c1-11(2)6-17-21-10-15(25-17)13-9-22-24-16(19)7-14(23-18(13)24)12-4-3-5-20-8-12;19-17-7-14(12-2-1-5-20-8-12)22-18-13(9-21-23(17)18)11-3-4-15-16(6-11)25-10-24-15;1-24-16-19-7-11(8-20-16)12-9-21-23-14(17)5-13(22-15(12)23)10-3-2-4-18-6-10;15-13-6-12(9-2-1-4-16-7-9)19-14-10(8-18-21(13)14)11-3-5-17-20-11;2*15-13-4-11(9-2-1-3-16-5-9)19-14-10(6-18-20(13)14)12-7-17-8-21-12;14-11-4-10(8-2-1-3-15-5-8)18-13-9(6-17-20(11)13)12-16-7-21-19-12/h7,9-12,20H,3-6,8,19H2,1-2H3;3-4,6-7,9,12,20H,1-2,5,8,10,19H2;5,7-10,18H,2-4,6,17H2,1H3;3,5-6,8-9,16H,1-2,4,7,15H2,(H,17,20);2*4,6-9,16H,1-3,5,15H2;4,6-8,15H,1-3,5,14H2
InChIKeyVJQBSDDHAWYRCB-UHFFFAOYSA-N
XLogP12.56
TPSA641.33 Ų
H-Bond Donors15
H-Bond Acceptors50
Rotatable Bonds17
Heavy Atoms158
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002188.69
LogP ≤ 512.56
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1050

Analyze 3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2,4-oxadiazol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Launch Full Analysis

Related Compounds

cumene;5-propan-2-yl-1,3-benzodioxole;5-propan-2-yl-2,3-dihydro-1-benzofuran;7-propan-2-yl-3,4-dihydro-2H-1,4-benzoxazine;7-propan-2-yl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;3-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3-thiazole
CID 157410129
1,3-benzodioxole;ethane;furan;7H-imidazo[4,5-e][1,2,4]triazine;1H-imidazole;1H-indole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole
CID 157486692
1H-benzimidazole;1,3-benzodioxole;2,3-dihydro-1H-imidazole;ethane;furan;1H-indole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole
CID 157603066
CID 158021284
CID 158021284
1H-benzimidazole;1,3-benzodioxole;ethane;furan;1H-imidazole;1H-indole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole
CID 158255095
1H-benzimidazole;1,3-benzodioxole;ethane;furan;1H-indole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole
CID 158540285
cumene;methane;4-propan-2-yl-1,3-benzodioxole;2-propan-2-yl-1,3-benzothiazole;bis(propan-2-ylcyclohexane);bis(propan-2-ylcyclopentane);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;2-propan-2-yl-4H-imidazole;5-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,2-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;tris(2-propan-2-ylpyridine);bis(3-propan-2-ylpyridine);2-propan-2-ylpyrimidine;5-propan-2-yl-2H-pyrrole;1-propan-2-ylpyrrolidine;5-propan-2-yl-1,2,4-thiadiazole;bis(2-propan-2-yl-1,3-thiazole);4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;5-propan-2-yl-1H-1,2,4-triazole
CID 158805826
3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,2-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 159105034
3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 159430003
cumene;5-propan-2-yl-1,3-benzodioxole;2-propan-2-ylbicyclo[2.2.1]heptane;propan-2-ylcyclobutane;propan-2-ylcyclohexane;propan-2-ylcyclopentane;1-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-yl-2,3-dihydro-1H-indene;2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;4-propan-2-yloxane;4-propan-2-yl-1,2-oxazole;bis(4-propan-2-yl-1,3-oxazole);5-propan-2-yl-1,3-oxazole;4-propan-2-ylpiperidine;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;5-propan-2-yl-1,3-thiazole
CID 160099913
6-methyl-2,3-dihydro-1,4-benzodioxine;2-methylfuran;6-methylimidazo[1,2-a]pyridine;1-methylimidazole;2-methyl-1H-imidazole;5-methyl-1H-imidazole;2-methyl-1,3,4-oxadiazole;3-methyl-1,2,4-oxadiazole;4-methyl-1,3-oxazole;5-methyl-1,3-oxazole;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;1-methyl-2H-pyridine;2-methylpyridine;3-methylpyridine;4-methylpyridine;2-methylpyrimidine;4-methylpyrimidine;5-methylpyrimidine;2-methyl-1H-pyrrole;1-methyltetrazole;2-methyltetrazole;2-methyl-1,3,4-thiadiazole;3-methyl-1,2,4-thiadiazole;4-methylthiadiazole;5-methylthiadiazole;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;5-methyl-1H-1,2,4-triazole;5-methyl-3H-1,2,4-triazole
CID 161049543
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-[2-(2-methylpropyl)-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;5-cyclohexyl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 162127975

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2,4-oxadiazol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2,4-oxadiazol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 161317040) is 3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2,4-oxadiazol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2,4-oxadiazol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2,4-oxadiazol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine is CC(C)Cc1ncc(-c2cnn3c(N)cc(C4CCCNC4)nc23)s1.CSc1ncc(-c2cnn3c(N)cc(C4CCCNC4)nc23)cn1.Nc1cc(C2CCCNC2)nc2c(-c3ccc4c(c3)OCO4)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3ccn[nH]3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3cnco3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3cncs3)cnn12.Nc1cc(C2CCCNC2)nc2c(-c3ncon3)cnn12.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2,4-oxadiazol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is VJQBSDDHAWYRCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6S.C18H19N5O2.C16H19N7S.C14H17N7.C14H16N6O.C14H16N6S.C13H15N7O/c1-11(2)6-17-21-10-15(25-17)13-9-22-24-16(19)7-14(23-18(13)24)12-4-3-5-20-8-12;19-17-7-14(12-2-1-5-20-8-12)22-18-13(9-21-23(17)18)11-3-4-15-16(6-11)25-10-24-15;1-24-16-19-7-11(8-20-16)12-9-21-23-14(17)5-13(22-15(12)23)10-3-2-4-18-6-10;15-13-6-12(9-2-1-4-16-7-9)19-14-10(8-18-21(13)14)11-3-5-17-20-11;2*15-13-4-11(9-2-1-3-16-5-9)19-14-10(6-18-20(13)14)12-7-17-8-21-12;14-11-4-10(8-2-1-3-15-5-8)18-13-9(6-17-20(11)13)12-16-7-21-19-12/h7,9-12,20H,3-6,8,19H2,1-2H3;3-4,6-7,9,12,20H,1-2,5,8,10,19H2;5,7-10,18H,2-4,6,17H2,1H3;3,5-6,8-9,16H,1-2,4,7,15H2,(H,17,20);2*4,6-9,16H,1-3,5,15H2;4,6-8,15H,1-3,5,14H2.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2,4-oxadiazol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2,4-oxadiazol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2188.69 g/mol, XLogP of 12.56, 17 rotatable bonds, 15 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-[2-(2-methylpropyl)-1,3-thiazol-5-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(2-methylsulfanylpyrimidin-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,2,4-oxadiazol-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1,3-oxazol-5-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1H-pyrazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 161317040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).