3-bromo-5-tert-butyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-phenyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C106H104Br4FN30O2+ — CID 158336951

IUPAC3-bromo-5-tert-butyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-phenyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)(C)c1cc(NCc2ccncc2)n2ncc(Br)c2n1.CC(C)c1cc(NCc2ccc[n+]([O-])c2)n2ncc(Br)c2n1.CC(C)c1cc(NCc2cccnc2)n2ncc(Br)c2n1.CC(C)c1cnn2c(NCc3ccncc3)cc(-c3ccccc3)nc12.O[n+]1ccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1.c1ccc(-c2cc(NCc3cccnc3)n3ncc(C4CC4)c3n2)cc1
InChIInChI=1S/C21H19N5.C21H21N5.C18H14BrFN5O.C16H18BrN5.C15H16BrN5O.C15H16BrN5/c1-2-6-17(7-3-1)19-11-20(23-13-15-5-4-10-22-12-15)26-21(25-19)18(14-24-26)16-8-9-16;1-15(2)18-14-24-26-20(23-13-16-8-10-22-11-9-16)12-19(25-21(18)26)17-6-4-3-5-7-17;19-14-11-22-25-17(21-10-12-5-7-24(26)8-6-12)9-16(23-18(14)25)13-3-1-2-4-15(13)20;1-16(2,3)13-8-14(19-9-11-4-6-18-7-5-11)22-15(21-13)12(17)10-20-22;1-10(2)13-6-14(21-15(19-13)12(16)8-18-21)17-7-11-4-3-5-20(22)9-11;1-10(2)13-6-14(18-8-11-4-3-5-17-7-11)21-15(20-13)12(16)9-19-21/h1-7,10-12,14,16,23H,8-9,13H2;3-12,14-15,23H,13H2,1-2H3;1-9,11,21,26H,10H2;4-8,10,19H,9H2,1-3H3;3-6,8-10,17H,7H2,1-2H3;3-7,9-10,18H,8H2,1-2H3/q;;+1;;;
InChIKeyIAEJSBZMBRAOBZ-UHFFFAOYSA-N
MW2168.82 g/mol
LogP22.52
Rot. Bonds25

About 3-bromo-5-tert-butyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-phenyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-tert-butyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-phenyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158336951) has the molecular formula C106H104Br4FN30O2+ and a molecular weight of 2168.82 g/mol. Its IUPAC name is 3-bromo-5-tert-butyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-phenyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-tert-butyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-phenyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID158336951
Molecular FormulaC106H104Br4FN30O2+
Molecular Weight2168.82 g/mol
Exact Mass2163.57
IUPAC Name3-bromo-5-tert-butyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-phenyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC(C)(C)c1cc(NCc2ccncc2)n2ncc(Br)c2n1.CC(C)c1cc(NCc2ccc[n+]([O-])c2)n2ncc(Br)c2n1.CC(C)c1cc(NCc2cccnc2)n2ncc(Br)c2n1.CC(C)c1cnn2c(NCc3ccncc3)cc(-c3ccccc3)nc12.O[n+]1ccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1.c1ccc(-c2cc(NCc3cccnc3)n3ncc(C4CC4)c3n2)cc1
InChIInChI=1S/C21H19N5.C21H21N5.C18H14BrFN5O.C16H18BrN5.C15H16BrN5O.C15H16BrN5/c1-2-6-17(7-3-1)19-11-20(23-13-15-5-4-10-22-12-15)26-21(25-19)18(14-24-26)16-8-9-16;1-15(2)18-14-24-26-20(23-13-16-8-10-22-11-9-16)12-19(25-21(18)26)17-6-4-3-5-7-17;19-14-11-22-25-17(21-10-12-5-7-24(26)8-6-12)9-16(23-18(14)25)13-3-1-2-4-15(13)20;1-16(2,3)13-8-14(19-9-11-4-6-18-7-5-11)22-15(21-13)12(17)10-20-22;1-10(2)13-6-14(21-15(19-13)12(16)8-18-21)17-7-11-4-3-5-20(22)9-11;1-10(2)13-6-14(18-8-11-4-3-5-17-7-11)21-15(20-13)12(16)9-19-21/h1-7,10-12,14,16,23H,8-9,13H2;3-12,14-15,23H,13H2,1-2H3;1-9,11,21,26H,10H2;4-8,10,19H,9H2,1-3H3;3-6,8-10,17H,7H2,1-2H3;3-7,9-10,18H,8H2,1-2H3/q;;+1;;;
InChIKeyIAEJSBZMBRAOBZ-UHFFFAOYSA-N
XLogP22.52
TPSA355.93 Ų
H-Bond Donors7
H-Bond Acceptors30
Rotatable Bonds25
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002168.82
LogP ≤ 522.52
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 3-bromo-5-tert-butyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-phenyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

3-[4-[3-bromo-7-(pyrimidin-5-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-3-fluorophenyl]bromanuidyl-5-cyclohexyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 146838498
3-bromo-5-(oxan-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;N-[(1-hydroxypyridin-1-ium-3-yl)methyl]-5-phenyl-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-phenyl-N-(pyridin-3-ylmethyl)-3-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 159700391
8-(2-Cyclopropyl-6-methyl-4-pyridinyl)-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-(4-fluorophenyl)imidazo[1,2-c]pyrimidin-5-amine;8-(2,6-dimethyl-4-pyridinyl)-7-phenylimidazo[1,2-c]pyrimidin-5-amine;7-(2-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;7-(3-fluorophenyl)-8-[2-methyl-6-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
CID 161206133
N-(3-imidazol-1-ylpropyl)-3-phenylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-(1-methylpyrazol-4-yl)-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine;N-methyl-3-phenyl-N-pyridin-3-ylimidazo[1,2-b]pyridazin-6-amine
CID 87579541
3-bromo-5-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(1-propan-2-ylpiperidin-4-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;methanamine
CID 90715165
N-benzyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-cyclopentyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-N-ethyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-N,5-dicyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 123955280
3-bromo-5-(2-fluorophenyl)-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 143441551
5-[1-[6-[[4-(7-Amino-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]methyl]-3-pyridinyl]piperidin-3-yl]-6-bromo-3-[1-(pyridin-2-ylmethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 143656308
3-bromo-5-tert-butyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 145500290
5-cyclohexyl-3-ethyl-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-5-(2-fluorophenyl)-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-N-[(1-hydroxypyridin-1-ium-3-yl)methyl]-5-(2-methylphenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 145502241
N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-amine;N-(3H-benzimidazol-5-ylmethyl)-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methylbenzimidazol-5-yl)methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-methylphenyl)-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-ethyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 157052311
(2R)-2-[[3-bromo-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;(2S)-2-[[3-bromo-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;[1-[3-bromo-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-2-yl]methanol;[(2S)-1-[3-bromo-7-[(1-oxidopyridin-1-ium-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol
CID 157064835

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-tert-butyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-phenyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-tert-butyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-phenyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 158336951) is 3-bromo-5-tert-butyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-phenyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-tert-butyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-phenyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-tert-butyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-phenyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is CC(C)(C)c1cc(NCc2ccncc2)n2ncc(Br)c2n1.CC(C)c1cc(NCc2ccc[n+]([O-])c2)n2ncc(Br)c2n1.CC(C)c1cc(NCc2cccnc2)n2ncc(Br)c2n1.CC(C)c1cnn2c(NCc3ccncc3)cc(-c3ccccc3)nc12.O[n+]1ccc(CNc2cc(-c3ccccc3F)nc3c(Br)cnn23)cc1.c1ccc(-c2cc(NCc3cccnc3)n3ncc(C4CC4)c3n2)cc1.
What is the InChIKey of 3-bromo-5-tert-butyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-phenyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is IAEJSBZMBRAOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5.C21H21N5.C18H14BrFN5O.C16H18BrN5.C15H16BrN5O.C15H16BrN5/c1-2-6-17(7-3-1)19-11-20(23-13-15-5-4-10-22-12-15)26-21(25-19)18(14-24-26)16-8-9-16;1-15(2)18-14-24-26-20(23-13-16-8-10-22-11-9-16)12-19(25-21(18)26)17-6-4-3-5-7-17;19-14-11-22-25-17(21-10-12-5-7-24(26)8-6-12)9-16(23-18(14)25)13-3-1-2-4-15(13)20;1-16(2,3)13-8-14(19-9-11-4-6-18-7-5-11)22-15(21-13)12(17)10-20-22;1-10(2)13-6-14(21-15(19-13)12(16)8-18-21)17-7-11-4-3-5-20(22)9-11;1-10(2)13-6-14(18-8-11-4-3-5-17-7-11)21-15(20-13)12(16)9-19-21/h1-7,10-12,14,16,23H,8-9,13H2;3-12,14-15,23H,13H2,1-2H3;1-9,11,21,26H,10H2;4-8,10,19H,9H2,1-3H3;3-6,8-10,17H,7H2,1-2H3;3-7,9-10,18H,8H2,1-2H3/q;;+1;;;.
What are the key properties of 3-bromo-5-tert-butyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-phenyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-tert-butyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-phenyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2168.82 g/mol, XLogP of 22.52, 25 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-tert-butyl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-[(1-hydroxypyridin-1-ium-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-propan-2-yl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-cyclopropyl-5-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-phenyl-3-propan-2-yl-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158336951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).