3-bromo-5-chloro-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidine;3-bromo-5,7-dichloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;4-[3-bromo-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

C68H78BBr3Cl3N17O7 — CID 158042447

IUPAC3-bromo-5-chloro-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidine;3-bromo-5,7-dichloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;4-[3-bromo-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
SMILESBrc1cnn2c(-c3cccc4c3cnn4C3CCCCO3)cc(N3CCOCC3)nc12.C1COCCN1.CC1(C)OB(c2cccc3c2cnn3C2CCCCO2)OC1(C)C.ClC1CC(Cl)n2ncc(Br)c2N1.Clc1cc(-c2cccc3c2cnn3C2CCCCO2)n2ncc(Br)c2n1
InChIInChI=1S/C22H23BrN6O2.C18H25BN2O3.C18H15BrClN5O.C6H6BrCl2N3.C4H9NO/c23-17-14-25-29-19(12-20(26-22(17)29)27-7-10-30-11-8-27)15-4-3-5-18-16(15)13-24-28(18)21-6-1-2-9-31-21;1-17(2)18(3,4)24-19(23-17)14-8-7-9-15-13(14)12-20-21(15)16-10-5-6-11-22-16;19-13-10-22-25-15(8-16(20)23-18(13)25)11-4-3-5-14-12(11)9-21-24(14)17-6-1-2-7-26-17;7-3-2-10-12-5(9)1-4(8)11-6(3)12;1-3-6-4-2-5-1/h3-5,12-14,21H,1-2,6-11H2;7-9,12,16H,5-6,10-11H2,1-4H3;3-5,8-10,17H,1-2,6-7H2;2,4-5,11H,1H2;5H,1-4H2
InChIKeyFINAGRYFFQFTTB-UHFFFAOYSA-N
MW1602.37 g/mol
LogP14.31
Rot. Bonds7

About 3-bromo-5-chloro-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidine;3-bromo-5,7-dichloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;4-[3-bromo-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

3-bromo-5-chloro-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidine;3-bromo-5,7-dichloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;4-[3-bromo-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (PubChem CID 158042447) has the molecular formula C68H78BBr3Cl3N17O7 and a molecular weight of 1602.37 g/mol. Its IUPAC name is 3-bromo-5-chloro-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidine;3-bromo-5,7-dichloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;4-[3-bromo-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

Molecular Properties

Compound Name3-bromo-5-chloro-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidine;3-bromo-5,7-dichloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;4-[3-bromo-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
PubChem CID158042447
Molecular FormulaC68H78BBr3Cl3N17O7
Molecular Weight1602.37 g/mol
Exact Mass1597.30
IUPAC Name3-bromo-5-chloro-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidine;3-bromo-5,7-dichloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;4-[3-bromo-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
SMILESBrc1cnn2c(-c3cccc4c3cnn4C3CCCCO3)cc(N3CCOCC3)nc12.C1COCCN1.CC1(C)OB(c2cccc3c2cnn3C2CCCCO2)OC1(C)C.ClC1CC(Cl)n2ncc(Br)c2N1.Clc1cc(-c2cccc3c2cnn3C2CCCCO2)n2ncc(Br)c2n1
InChIInChI=1S/C22H23BrN6O2.C18H25BN2O3.C18H15BrClN5O.C6H6BrCl2N3.C4H9NO/c23-17-14-25-29-19(12-20(26-22(17)29)27-7-10-30-11-8-27)15-4-3-5-18-16(15)13-24-28(18)21-6-1-2-9-31-21;1-17(2)18(3,4)24-19(23-17)14-8-7-9-15-13(14)12-20-21(15)16-10-5-6-11-22-16;19-13-10-22-25-15(8-16(20)23-18(13)25)11-4-3-5-14-12(11)9-21-24(14)17-6-1-2-7-26-17;7-3-2-10-12-5(9)1-4(8)11-6(3)12;1-3-6-4-2-5-1/h3-5,12-14,21H,1-2,6-11H2;7-9,12,16H,5-6,10-11H2,1-4H3;3-5,8-10,17H,1-2,6-7H2;2,4-5,11H,1H2;5H,1-4H2
InChIKeyFINAGRYFFQFTTB-UHFFFAOYSA-N
XLogP14.31
TPSA223.57 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds7
Heavy Atoms99
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001602.37
LogP ≤ 514.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 3-bromo-5-chloro-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidine;3-bromo-5,7-dichloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;4-[3-bromo-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole with MolForge

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Related Compounds

8-bromo-2-(5-fluoro-3-pyridinyl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-[2-(oxan-2-yl)pyrazol-3-yl]-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-(5-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 158128484
6-chloro-1-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-chlorophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazolo[3,4-d]pyrimidin-4-amine;6-chloro-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;methane
CID 158149572
6-bromo-3-ethenyl-1-methylindazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethenyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(3-ethyl-1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;3-ethenyl-1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 158373489
1-bromo-2-chloroethane;6-bromo-1-(2-chloroethyl)indazole;6-bromo-1H-indazole;6-bromo-1-[2-(4-methylpiperazin-1-yl)ethyl]indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-[2-(4-methylpiperazin-1-yl)ethyl]indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-methylpiperazine;1-[2-(4-methylpiperazin-1-yl)ethyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 159222566
6-bromo-1-methylpyrazolo[4,5-b]pyridine;bis(4-[4-chloro-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)pyrimidin-2-yl]morpholine);4-(4,6-dichloropyrimidin-2-yl)morpholine;methane;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-ylpyrimidin-4-amine;6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-yl-N-[4-(4H-pyrazol-3-yl)phenyl]pyrimidin-4-amine;4-(5-methyl-4H-pyrazol-3-yl)aniline;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[4,5-b]pyridine;4-(4H-pyrazol-3-yl)aniline
CID 159235729
4-(6-Chloro-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)aniline;4,6-dichloro-1-propan-2-ylpyrazolo[5,4-d]pyrimidine;4-[4-(4-isocyanatophenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-6-yl]morpholine;4-(6-morpholin-4-yl-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl)aniline;4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
CID 159535740
6-bromo-1H-indazole;4-[2-(6-bromoindazol-1-yl)ethyl]morpholine;4-(2-chloroethyl)morpholine;4-[4-chloro-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;4-(4,6-dichloropyrimidin-2-yl)morpholine;4-(5-methyl-4H-pyrazol-3-yl)aniline;N-[4-(5-methyl-4H-pyrazol-3-yl)phenyl]-2-morpholin-4-yl-6-[1-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-4-amine;4-[2-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]ethyl]morpholine
CID 159638216
4-chloroaniline;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;4-(4,6-dichloropyrimidin-2-yl)morpholine;1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 160230156
tert-butyl N-[2-[methyl-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]amino]ethyl]carbamate;N'-[[3-(4-chloro-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]-N'-methylethane-1,2-diamine;4,6-dichloro-1-propan-2-ylpyrazolo[5,4-b]pyridine;bis(N'-methyl-N'-[[3-(4-morpholin-4-yl-1-propan-2-ylpyrazolo[5,4-b]pyridin-6-yl)phenyl]methyl]ethane-1,2-diamine);N-methyl-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]propan-1-amine
CID 160809465
tert-butyl 3-[2-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]indole-1-carboxylate;tert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl-(3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]indole-1-carboxylate;N-[2-(3H-inden-1-yl)ethyl]-3-propan-2-yl-5-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-7-amine;pyrimidin-5-ylboronic acid
CID 161039106
N-[(6-amino-3-pyridinyl)methyl]-3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-[(2-aminopyrimidin-5-yl)methyl]-3-bromo-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(2-methoxyethylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[[6-(methylamino)-3-pyridinyl]methyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 161244283
tert-butyl 6-aminoindazole-1-carboxylate;tert-butyl 6-[[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]indazole-1-carboxylate;4-[4-chloro-6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]pyrimidin-2-yl]morpholine;methane;N-[6-[1-methyl-3-(2-morpholin-4-ylethyl)indazol-6-yl]-2-morpholin-4-ylpyrimidin-4-yl]-3H-isoindol-5-amine
CID 161332029

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidine;3-bromo-5,7-dichloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;4-[3-bromo-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The IUPAC name of 3-bromo-5-chloro-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidine;3-bromo-5,7-dichloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;4-[3-bromo-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (CID 158042447) is 3-bromo-5-chloro-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidine;3-bromo-5,7-dichloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;4-[3-bromo-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.
What is the SMILES notation for 3-bromo-5-chloro-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidine;3-bromo-5,7-dichloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;4-[3-bromo-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The canonical SMILES for 3-bromo-5-chloro-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidine;3-bromo-5,7-dichloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;4-[3-bromo-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is Brc1cnn2c(-c3cccc4c3cnn4C3CCCCO3)cc(N3CCOCC3)nc12.C1COCCN1.CC1(C)OB(c2cccc3c2cnn3C2CCCCO2)OC1(C)C.ClC1CC(Cl)n2ncc(Br)c2N1.Clc1cc(-c2cccc3c2cnn3C2CCCCO2)n2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-5-chloro-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidine;3-bromo-5,7-dichloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;4-[3-bromo-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The InChIKey is FINAGRYFFQFTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN6O2.C18H25BN2O3.C18H15BrClN5O.C6H6BrCl2N3.C4H9NO/c23-17-14-25-29-19(12-20(26-22(17)29)27-7-10-30-11-8-27)15-4-3-5-18-16(15)13-24-28(18)21-6-1-2-9-31-21;1-17(2)18(3,4)24-19(23-17)14-8-7-9-15-13(14)12-20-21(15)16-10-5-6-11-22-16;19-13-10-22-25-15(8-16(20)23-18(13)25)11-4-3-5-14-12(11)9-21-24(14)17-6-1-2-7-26-17;7-3-2-10-12-5(9)1-4(8)11-6(3)12;1-3-6-4-2-5-1/h3-5,12-14,21H,1-2,6-11H2;7-9,12,16H,5-6,10-11H2,1-4H3;3-5,8-10,17H,1-2,6-7H2;2,4-5,11H,1H2;5H,1-4H2.
What are the key properties of 3-bromo-5-chloro-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidine;3-bromo-5,7-dichloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;4-[3-bromo-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
3-bromo-5-chloro-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidine;3-bromo-5,7-dichloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;4-[3-bromo-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole has a molecular weight of 1602.37 g/mol, XLogP of 14.31, 7 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidine;3-bromo-5,7-dichloro-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;4-[3-bromo-7-[1-(oxan-2-yl)indazol-4-yl]pyrazolo[1,5-a]pyrimidin-5-yl]morpholine;morpholine;1-(oxan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is sourced from PubChem (CID 158042447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).