5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine

C98H111N41OS4 — CID 158081547

IUPAC5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2cc(C3CCCNC3)nc3c(-c4cncs4)cnn23)sn1.Cc1cc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)no1.Cc1csc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)c1.Cn1cc(-c2cnn3c(Nc4ccc(C5=NCCCN5)cn4)cc(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(Nc4nncs4)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C24H28N10.C20H23N7S.C19H22N8O.C18H19N7S2.C17H19N9S/c1-33-15-18(13-29-33)19-14-30-34-22(10-20(31-24(19)34)16-4-2-7-25-11-16)32-21-6-5-17(12-28-21)23-26-8-3-9-27-23;1-13-6-19(28-12-13)25-18-7-17(14-4-3-5-21-8-14)24-20-16(10-23-27(18)20)15-9-22-26(2)11-15;1-12-6-17(25-28-12)24-18-7-16(13-4-3-5-20-8-13)23-19-15(10-22-27(18)19)14-9-21-26(2)11-14;1-11-5-17(27-24-11)23-16-6-14(12-3-2-4-19-7-12)22-18-13(8-21-25(16)18)15-9-20-10-26-15;1-25-9-12(7-20-25)13-8-21-26-15(23-17-24-19-10-27-17)5-14(22-16(13)26)11-3-2-4-18-6-11/h5-6,10,12-16,25H,2-4,7-9,11H2,1H3,(H,26,27)(H,28,32);6-7,9-12,14,21,25H,3-5,8H2,1-2H3;6-7,9-11,13,20H,3-5,8H2,1-2H3,(H,24,25);5-6,8-10,12,19,23H,2-4,7H2,1H3;5,7-11,18H,2-4,6H2,1H3,(H,23,24)
InChIKeyFMZZTFBXCHEWHS-UHFFFAOYSA-N
MW2007.52 g/mol
LogP14.84
Rot. Bonds21

About 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158081547) has the molecular formula C98H111N41OS4 and a molecular weight of 2007.52 g/mol. Its IUPAC name is 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID158081547
Molecular FormulaC98H111N41OS4
Molecular Weight2007.52 g/mol
Exact Mass2005.88
IUPAC Name5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2cc(C3CCCNC3)nc3c(-c4cncs4)cnn23)sn1.Cc1cc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)no1.Cc1csc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)c1.Cn1cc(-c2cnn3c(Nc4ccc(C5=NCCCN5)cn4)cc(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(Nc4nncs4)cc(C4CCCNC4)nc23)cn1
InChIInChI=1S/C24H28N10.C20H23N7S.C19H22N8O.C18H19N7S2.C17H19N9S/c1-33-15-18(13-29-33)19-14-30-34-22(10-20(31-24(19)34)16-4-2-7-25-11-16)32-21-6-5-17(12-28-21)23-26-8-3-9-27-23;1-13-6-19(28-12-13)25-18-7-17(14-4-3-5-21-8-14)24-20-16(10-23-27(18)20)15-9-22-26(2)11-15;1-12-6-17(25-28-12)24-18-7-16(13-4-3-5-20-8-13)23-19-15(10-22-27(18)19)14-9-21-26(2)11-14;1-11-5-17(27-24-11)23-16-6-14(12-3-2-4-19-7-12)22-18-13(8-21-25(16)18)15-9-20-10-26-15;1-25-9-12(7-20-25)13-8-21-26-15(23-17-24-19-10-27-17)5-14(22-16(13)26)11-3-2-4-18-6-11/h5-6,10,12-16,25H,2-4,7-9,11H2,1H3,(H,26,27)(H,28,32);6-7,9-12,14,21,25H,3-5,8H2,1-2H3;6-7,9-11,13,20H,3-5,8H2,1-2H3,(H,24,25);5-6,8-10,12,19,23H,2-4,7H2,1H3;5,7-11,18H,2-4,6H2,1H3,(H,23,24)
InChIKeyFMZZTFBXCHEWHS-UHFFFAOYSA-N
XLogP14.84
TPSA457.40 Ų
H-Bond Donors11
H-Bond Acceptors46
Rotatable Bonds21
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002007.52
LogP ≤ 514.84
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1046

Analyze 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Launch Full Analysis

Related Compounds

5-methyl-N-[3-[1-methyl-3-[5-[3-(1-methylpyrazol-4-yl)-7-[(4-methylthiophen-2-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]pyrazol-4-yl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine
CID 143439874
2-Tert-butyl-4,5-dimethyl-1,3-thiazole;5-tert-butyl-2-fluoropyridine;3-tert-butyl-5-methyl-1,2-oxazole;3-tert-butyl-6-methylpyridazine;5-tert-butyl-2-methylpyrimidine;2-tert-butyl-4-methyl-1,3-thiazole;3-tert-butyl-1,2-oxazole;5-tert-butyl-1,2-oxazole;3-tert-butylpyridazine;5-tert-butylpyridin-2-amine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;5-tert-butylpyrimidine;5-tert-butyl-1,3,4-thiadiazol-2-amine;2-tert-butyl-1,3,4-thiadiazole;5-tert-butyl-1,3-thiazol-2-amine;2-tert-butyl-1,3-thiazole;methane
CID 157498767
tert-butylbenzene;2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-1H-pyridin-2-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butylpyrimidine;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 157988527
1-propan-2-ylcyclopenta-1,3-diene;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-ylmorpholine;5-propan-2-yl-1,2,4-oxadiazole;5-propan-2-yl-1,2-oxazole;1-propan-2-ylpiperazine;1-propan-2-ylpiperidine;2-propan-2-ylpiperidine;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;4-propan-2-yl-4H-pyrazole;3-propan-2-ylpyridine;4-propan-2-ylpyrimidine;1-propan-2-yltetrazole;3-propan-2-yl-1,2,5-thiadiazole;5-propan-2-yl-1,2,4-thiadiazole;4-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazolidine;1-propan-2-yl-1,2,4-triazole
CID 158526642
N-(5-bromopyrimidin-2-yl)-5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine;N-[5-cyclohexyl-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine
CID 158533552
N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine
CID 158893394
5-cyclohexyl-N-(2-ethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-5-methyl-1,2-oxazol-3-amine;N-[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-[5-(2,3,4,5-tetrahydropyridin-6-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 159147606
butane;butan-2-one;methane;methoxymethane;methyl acetate;2-methyl-1,3-benzothiazole;methylcyclobutane;bis(methylcyclohexane);6-methylimidazo[1,2-b]pyridazine;4-methyl-2-methylidene-1H-pyridine;4-methyl-1,2-oxazole;4-methylpiperidine;2-methylpyridine;bis(3-methylpyridine);4-methylpyridine;4-methylpyrimidine;2-methyl-1H-pyrrole;3-methyl-1H-pyrrole;1-methylpyrrolidine;3-methylpyrrolidine;2-methyl-1,3-thiazole;3-methylthiophene;toluene
CID 160140292
3-Methyl-5-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;tris(5-methyl-2-propan-2-ylpyridine);2-methyl-5-propan-2-ylpyrimidine;4-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine
CID 160329798
N-[6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-3-methyl-1,2-thiazol-5-amine;N-(3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)-3-methyl-1,2-thiazol-5-amine;3-methyl-N-[3-(1-methylpyrazol-4-yl)-5-thiomorpholin-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 160480185
2-methyl-4-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyrimidine;4-methyl-6-propan-2-ylpyrimidine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;6-propan-2-yl-3H-pyridin-4-one;4-propan-2-ylpyrimidine;4-propan-2-yl-3H-pyrrole;5-propan-2-yl-1,2-thiazol-3-amine;5-propan-2-yl-1,3-thiazol-2-amine;bis(2-propan-2-ylthiophene);3-propan-2-ylthiophene;4-propan-2-yl-2H-triazole;5-propan-2-yl-1H-1,2,4-triazole
CID 160934212
tert-butylbenzene;5-tert-butylimidazo[1,5-a]pyridine;6-tert-butylimidazo[1,5-a]pyridine;7-tert-butylimidazo[1,5-a]pyridine;8-tert-butylimidazo[1,5-a]pyridine;2-tert-butyl-4H-imidazole;5-tert-butyl-4H-imidazole;2-tert-butyl-1,3,4-oxadiazole;5-tert-butyl-1,2-oxazole;2-tert-butylpyrazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;3-tert-butyl-1H-pyridin-2-one;4-tert-butyl-1H-pyridin-2-one;5-tert-butylpyrimidine;3-tert-butyl-2H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 160967343

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 158081547) is 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2cc(C3CCCNC3)nc3c(-c4cncs4)cnn23)sn1.Cc1cc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)no1.Cc1csc(Nc2cc(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn23)c1.Cn1cc(-c2cnn3c(Nc4ccc(C5=NCCCN5)cn4)cc(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(Nc4nncs4)cc(C4CCCNC4)nc23)cn1.
What is the InChIKey of 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is FMZZTFBXCHEWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N10.C20H23N7S.C19H22N8O.C18H19N7S2.C17H19N9S/c1-33-15-18(13-29-33)19-14-30-34-22(10-20(31-24(19)34)16-4-2-7-25-11-16)32-21-6-5-17(12-28-21)23-26-8-3-9-27-23;1-13-6-19(28-12-13)25-18-7-17(14-4-3-5-21-8-14)24-20-16(10-23-27(18)20)15-9-22-26(2)11-15;1-12-6-17(25-28-12)24-18-7-16(13-4-3-5-20-8-13)23-19-15(10-22-27(18)19)14-9-21-26(2)11-14;1-11-5-17(27-24-11)23-16-6-14(12-3-2-4-19-7-12)22-18-13(8-21-25(16)18)15-9-20-10-26-15;1-25-9-12(7-20-25)13-8-21-26-15(23-17-24-19-10-27-17)5-14(22-16(13)26)11-3-2-4-18-6-11/h5-6,10,12-16,25H,2-4,7-9,11H2,1H3,(H,26,27)(H,28,32);6-7,9-12,14,21,25H,3-5,8H2,1-2H3;6-7,9-11,13,20H,3-5,8H2,1-2H3,(H,24,25);5-6,8-10,12,19,23H,2-4,7H2,1H3;5,7-11,18H,2-4,6H2,1H3,(H,23,24).
What are the key properties of 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2007.52 g/mol, XLogP of 14.84, 21 rotatable bonds, 11 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,2-oxazol-3-amine;3-methyl-N-[5-piperidin-3-yl-3-(1,3-thiazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-1,2-thiazol-5-amine;3-(1-methylpyrazol-4-yl)-N-(4-methylthiophen-2-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-[3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl]-1,3,4-thiadiazol-2-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-N-[5-(1,4,5,6-tetrahydropyrimidin-2-yl)-2-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158081547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).