5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-1H-isoindole;bromomethylcyclopropane;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

C79H86BBr3Cl3N15O4 — CID 159814413

IUPAC5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-1H-isoindole;bromomethylcyclopropane;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
SMILESBrCC1CC1.Brc1ccc2c(c1)C=NC2.Brc1ccc2c(cnn2CC2CC2)c1.CC1(C)OB(c2ccc3c(cnn3CC3CC3)c2)OC1(C)C.Clc1ccc(Nc2cc(-c3ccc4c(cnn4CC4CC4)c3)nc(N3CCOCC3)n2)cc1.Clc1ccc(Nc2cc(Cl)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C25H25ClN6O.C17H23BN2O2.C14H14Cl2N4O.C11H11BrN2.C8H6BrN.C4H7Br/c26-20-4-6-21(7-5-20)28-24-14-22(29-25(30-24)31-9-11-33-12-10-31)18-3-8-23-19(13-18)15-27-32(23)16-17-1-2-17;1-16(2)17(3,4)22-18(21-16)14-7-8-15-13(9-14)10-19-20(15)11-12-5-6-12;15-10-1-3-11(4-2-10)17-13-9-12(16)18-14(19-13)20-5-7-21-8-6-20;12-10-3-4-11-9(5-10)6-13-14(11)7-8-1-2-8;9-8-2-1-6-4-10-5-7(6)3-8;5-3-4-1-2-4/h3-8,13-15,17H,1-2,9-12,16H2,(H,28,29,30);7-10,12H,5-6,11H2,1-4H3;1-4,9H,5-8H2,(H,17,18,19);3-6,8H,1-2,7H2;1-3,5H,4H2;4H,1-3H2
InChIKeyNLKWKLVTNACDKB-UHFFFAOYSA-N
MW1666.54 g/mol
LogP18.63
Rot. Bonds15

About 5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-1H-isoindole;bromomethylcyclopropane;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole

5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-1H-isoindole;bromomethylcyclopropane;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (PubChem CID 159814413) has the molecular formula C79H86BBr3Cl3N15O4 and a molecular weight of 1666.54 g/mol. Its IUPAC name is 5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-1H-isoindole;bromomethylcyclopropane;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.

Molecular Properties

Compound Name5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-1H-isoindole;bromomethylcyclopropane;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
PubChem CID159814413
Molecular FormulaC79H86BBr3Cl3N15O4
Molecular Weight1666.54 g/mol
Exact Mass1661.37
IUPAC Name5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-1H-isoindole;bromomethylcyclopropane;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
SMILESBrCC1CC1.Brc1ccc2c(c1)C=NC2.Brc1ccc2c(cnn2CC2CC2)c1.CC1(C)OB(c2ccc3c(cnn3CC3CC3)c2)OC1(C)C.Clc1ccc(Nc2cc(-c3ccc4c(cnn4CC4CC4)c3)nc(N3CCOCC3)n2)cc1.Clc1ccc(Nc2cc(Cl)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C25H25ClN6O.C17H23BN2O2.C14H14Cl2N4O.C11H11BrN2.C8H6BrN.C4H7Br/c26-20-4-6-21(7-5-20)28-24-14-22(29-25(30-24)31-9-11-33-12-10-31)18-3-8-23-19(13-18)15-27-32(23)16-17-1-2-17;1-16(2)17(3,4)22-18(21-16)14-7-8-15-13(9-14)10-19-20(15)11-12-5-6-12;15-10-1-3-11(4-2-10)17-13-9-12(16)18-14(19-13)20-5-7-21-8-6-20;12-10-3-4-11-9(5-10)6-13-14(11)7-8-1-2-8;9-8-2-1-6-4-10-5-7(6)3-8;5-3-4-1-2-4/h3-8,13-15,17H,1-2,9-12,16H2,(H,28,29,30);7-10,12H,5-6,11H2,1-4H3;1-4,9H,5-8H2,(H,17,18,19);3-6,8H,1-2,7H2;1-3,5H,4H2;4H,1-3H2
InChIKeyNLKWKLVTNACDKB-UHFFFAOYSA-N
XLogP18.63
TPSA184.84 Ų
H-Bond Donors2
H-Bond Acceptors19
Rotatable Bonds15
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001666.54
LogP ≤ 518.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-1H-isoindole;bromomethylcyclopropane;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole with MolForge

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Related Compounds

2-[(5-bromoindazol-2-yl)methoxy]ethyl-trimethylsilane;2-chloropyrazine;2-[[3-(6-chloropyrimidin-4-yl)-5-pyrazin-2-ylindazol-2-yl]methoxy]ethyl-trimethylsilane;4,6-dichloropyrimidine;morpholine;4-[6-(6-pyrazin-2-yl-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyrazin-2-ylindazol-2-yl]methoxy]ethyl]silane;trimethyl-[2-[(5-pyrazin-2-ylindazol-2-yl)methoxy]ethyl]silane;trimethyl-[2-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-2-yl]methoxy]ethyl]silane;hydrochloride
CID 157761098
6-bromo-1H-indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-(1H-indazol-6-yl)-2-morpholin-4-ylpyrimidin-4-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
CID 157791551
5-bromo-2-(cyclopropylmethyl)indazole;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[2-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;2-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 158045068
1,3-bis[2,6-di(propan-2-yl)phenyl]-4,5-dihydroimidazol-1-ium;5-bromo-1H-isoindole;3-(2-chloro-4-pyridinyl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;2-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N,N-dimethyl-4-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyridin-2-amine;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;N-methylmethanamine;5-(1-methylpyrazol-4-yl)-1H-isoindole;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;chloride
CID 158368756
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
5-bromo-1H-isoindole;3-(6-chloropyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)-1-tritylindazole;4,6-dichloropyrimidine;3-iodo-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-iodo-5-(1-methylpyrazol-4-yl)-1-tritylindazole;methane;5-(1-methylpyrazol-4-yl)-1H-isoindole;4-[6-[5-(1-methylpyrazol-4-yl)-1-tritylindazol-3-yl]pyrimidin-4-yl]morpholine;1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;morpholine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 159224027
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
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
5-(3-bromophenyl)-1H-pyrazole;(3S)-4-[2-chloro-7-[3-(1H-pyrazol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]-3-methylmorpholine;(3S)-4-(2,7-dichloropyrido[2,3-d]pyrimidin-4-yl)-3-methylmorpholine;7-[4-[(3S)-3-methylmorpholin-4-yl]-7-[3-(1H-pyrazol-5-yl)phenyl]pyrido[2,3-d]pyrimidin-2-yl]-4-oxa-7-azaspiro[2.5]octane;4-oxa-7-azaspiro[2.5]octane;5-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-pyrazole
CID 159698782
2-[(5-bromoindazol-2-yl)methoxy]ethyl-trimethylsilane;2-[[3-(6-chloropyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl-trimethylsilane;4,6-dichloropyrimidine;morpholine;palladium;pyridin-3-ylboronic acid;4-[6-(6-pyridin-3-yl-3H-isoindol-1-yl)pyrimidin-4-yl]morpholine;trimethyl-[2-[[3-(6-morpholin-4-ylpyrimidin-4-yl)-5-pyridin-3-ylindazol-2-yl]methoxy]ethyl]silane;trimethyl-[2-[(5-pyridin-3-ylindazol-2-yl)methoxy]ethyl]silane;tetrakis(triphenylphosphane);hydrochloride
CID 159834372
CID 160126037
CID 160126037

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-1H-isoindole;bromomethylcyclopropane;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The IUPAC name of 5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-1H-isoindole;bromomethylcyclopropane;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole (CID 159814413) is 5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-1H-isoindole;bromomethylcyclopropane;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole.
What is the SMILES notation for 5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-1H-isoindole;bromomethylcyclopropane;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The canonical SMILES for 5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-1H-isoindole;bromomethylcyclopropane;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is BrCC1CC1.Brc1ccc2c(c1)C=NC2.Brc1ccc2c(cnn2CC2CC2)c1.CC1(C)OB(c2ccc3c(cnn3CC3CC3)c2)OC1(C)C.Clc1ccc(Nc2cc(-c3ccc4c(cnn4CC4CC4)c3)nc(N3CCOCC3)n2)cc1.Clc1ccc(Nc2cc(Cl)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of 5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-1H-isoindole;bromomethylcyclopropane;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
The InChIKey is NLKWKLVTNACDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClN6O.C17H23BN2O2.C14H14Cl2N4O.C11H11BrN2.C8H6BrN.C4H7Br/c26-20-4-6-21(7-5-20)28-24-14-22(29-25(30-24)31-9-11-33-12-10-31)18-3-8-23-19(13-18)15-27-32(23)16-17-1-2-17;1-16(2)17(3,4)22-18(21-16)14-7-8-15-13(9-14)10-19-20(15)11-12-5-6-12;15-10-1-3-11(4-2-10)17-13-9-12(16)18-14(19-13)20-5-7-21-8-6-20;12-10-3-4-11-9(5-10)6-13-14(11)7-8-1-2-8;9-8-2-1-6-4-10-5-7(6)3-8;5-3-4-1-2-4/h3-8,13-15,17H,1-2,9-12,16H2,(H,28,29,30);7-10,12H,5-6,11H2,1-4H3;1-4,9H,5-8H2,(H,17,18,19);3-6,8H,1-2,7H2;1-3,5H,4H2;4H,1-3H2.
What are the key properties of 5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-1H-isoindole;bromomethylcyclopropane;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole?
5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-1H-isoindole;bromomethylcyclopropane;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole has a molecular weight of 1666.54 g/mol, XLogP of 18.63, 15 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(cyclopropylmethyl)indazole;5-bromo-1H-isoindole;bromomethylcyclopropane;6-chloro-N-(4-chlorophenyl)-2-morpholin-4-ylpyrimidin-4-amine;N-(4-chlorophenyl)-6-[1-(cyclopropylmethyl)indazol-5-yl]-2-morpholin-4-ylpyrimidin-4-amine;1-(cyclopropylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole is sourced from PubChem (CID 159814413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).