1-(5-bromo-3-chloro-2-fluorophenyl)ethanone;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrazine;phenyl N-(4-isocyanophenyl)carbamate;hydrate

C75H76BBr2Cl5FN19O8 — CID 159073711

IUPAC1-(5-bromo-3-chloro-2-fluorophenyl)ethanone;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrazine;phenyl N-(4-isocyanophenyl)carbamate;hydrate
SMILESCC(=O)c1cc(Br)cc(Cl)c1F.Cc1[nH]nc2c(Cl)cc(-c3nn4c(c3C(N)=O)CCCC4)cc12.Cc1[nH]nc2c(Cl)cc(-c3nn4c(c3C(N)=O)CNCC4)cc12.Cc1[nH]nc2c(Cl)cc(B3OC(C)(C)C(C)(C)O3)cc12.Cc1[nH]nc2c(Cl)cc(Br)cc12.NN.O.[C-]#[N+]c1ccc(NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C16H16ClN5O.C15H15ClN6O.C14H18BClN2O2.C14H10N2O2.C8H5BrClFO.C8H6BrClN2.H4N2.H2O/c1-8-10-6-9(7-11(17)15(10)20-19-8)14-13(16(18)23)12-4-2-3-5-22(12)21-14;1-7-9-4-8(5-10(16)14(9)20-19-7)13-12(15(17)23)11-6-18-2-3-22(11)21-13;1-8-10-6-9(7-11(16)12(10)18-17-8)15-19-13(2,3)14(4,5)20-15;1-15-11-7-9-12(10-8-11)16-14(17)18-13-5-3-2-4-6-13;1-4(12)6-2-5(9)3-7(10)8(6)11;1-4-6-2-5(9)3-7(10)8(6)12-11-4;1-2;/h6-7H,2-5H2,1H3,(H2,18,23)(H,19,20);4-5,18H,2-3,6H2,1H3,(H2,17,23)(H,19,20);6-7H,1-5H3,(H,17,18);2-10H,(H,16,17);2-3H,1H3;2-3H,1H3,(H,11,12);1-2H2;1H2
InChIKeySKAHQHWMMOSQLG-UHFFFAOYSA-N
MW1738.44 g/mol
LogP15.81
Rot. Bonds8

About 1-(5-bromo-3-chloro-2-fluorophenyl)ethanone;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrazine;phenyl N-(4-isocyanophenyl)carbamate;hydrate

1-(5-bromo-3-chloro-2-fluorophenyl)ethanone;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrazine;phenyl N-(4-isocyanophenyl)carbamate;hydrate (PubChem CID 159073711) has the molecular formula C75H76BBr2Cl5FN19O8 and a molecular weight of 1738.44 g/mol. Its IUPAC name is 1-(5-bromo-3-chloro-2-fluorophenyl)ethanone;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrazine;phenyl N-(4-isocyanophenyl)carbamate;hydrate.

Molecular Properties

Compound Name1-(5-bromo-3-chloro-2-fluorophenyl)ethanone;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrazine;phenyl N-(4-isocyanophenyl)carbamate;hydrate
PubChem CID159073711
Molecular FormulaC75H76BBr2Cl5FN19O8
Molecular Weight1738.44 g/mol
Exact Mass1733.30
IUPAC Name1-(5-bromo-3-chloro-2-fluorophenyl)ethanone;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrazine;phenyl N-(4-isocyanophenyl)carbamate;hydrate
SMILESCC(=O)c1cc(Br)cc(Cl)c1F.Cc1[nH]nc2c(Cl)cc(-c3nn4c(c3C(N)=O)CCCC4)cc12.Cc1[nH]nc2c(Cl)cc(-c3nn4c(c3C(N)=O)CNCC4)cc12.Cc1[nH]nc2c(Cl)cc(B3OC(C)(C)C(C)(C)O3)cc12.Cc1[nH]nc2c(Cl)cc(Br)cc12.NN.O.[C-]#[N+]c1ccc(NC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C16H16ClN5O.C15H15ClN6O.C14H18BClN2O2.C14H10N2O2.C8H5BrClFO.C8H6BrClN2.H4N2.H2O/c1-8-10-6-9(7-11(17)15(10)20-19-8)14-13(16(18)23)12-4-2-3-5-22(12)21-14;1-7-9-4-8(5-10(16)14(9)20-19-7)13-12(15(17)23)11-6-18-2-3-22(11)21-13;1-8-10-6-9(7-11(16)12(10)18-17-8)15-19-13(2,3)14(4,5)20-15;1-15-11-7-9-12(10-8-11)16-14(17)18-13-5-3-2-4-6-13;1-4(12)6-2-5(9)3-7(10)8(6)11;1-4-6-2-5(9)3-7(10)8(6)12-11-4;1-2;/h6-7H,2-5H2,1H3,(H2,18,23)(H,19,20);4-5,18H,2-3,6H2,1H3,(H2,17,23)(H,19,20);6-7H,1-5H3,(H,17,18);2-10H,(H,16,17);2-3H,1H3;2-3H,1H3,(H,11,12);1-2H2;1H2
InChIKeySKAHQHWMMOSQLG-UHFFFAOYSA-N
XLogP15.81
TPSA410.33 Ų
H-Bond Donors10
H-Bond Acceptors18
Rotatable Bonds8
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001738.44
LogP ≤ 515.81
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(5-bromo-3-chloro-2-fluorophenyl)ethanone;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrazine;phenyl N-(4-isocyanophenyl)carbamate;hydrate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-7-chloro-1,3-dimethylindazole;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-1,3-dimethylindazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;phenyl N-(4-isocyanophenyl)carbamate
CID 160514551
1-bromo-3-chloro-5-fluorobenzene;2-(3-chloro-5-fluorophenyl)-5-[2-(3-fluoro-4-isocyanophenyl)acetyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-5-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(3-chloro-5-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;2-(3-chloro-5-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;phenyl N-(3-fluoro-4-isocyanophenyl)carbamate
CID 160975330
4-bromo-2,6-difluorobenzaldehyde;6-bromo-4-fluoro-1H-indazole;2-(4-fluoro-1H-indazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(4-fluoro-1H-indazol-6-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;4-fluoro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole;hydrazine;phenyl N-(3-chloro-4-isocyanophenyl)carbamate;hydrate
CID 161480581

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-chloro-2-fluorophenyl)ethanone;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrazine;phenyl N-(4-isocyanophenyl)carbamate;hydrate?
The IUPAC name of 1-(5-bromo-3-chloro-2-fluorophenyl)ethanone;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrazine;phenyl N-(4-isocyanophenyl)carbamate;hydrate (CID 159073711) is 1-(5-bromo-3-chloro-2-fluorophenyl)ethanone;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrazine;phenyl N-(4-isocyanophenyl)carbamate;hydrate.
What is the SMILES notation for 1-(5-bromo-3-chloro-2-fluorophenyl)ethanone;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrazine;phenyl N-(4-isocyanophenyl)carbamate;hydrate?
The canonical SMILES for 1-(5-bromo-3-chloro-2-fluorophenyl)ethanone;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrazine;phenyl N-(4-isocyanophenyl)carbamate;hydrate is CC(=O)c1cc(Br)cc(Cl)c1F.Cc1[nH]nc2c(Cl)cc(-c3nn4c(c3C(N)=O)CCCC4)cc12.Cc1[nH]nc2c(Cl)cc(-c3nn4c(c3C(N)=O)CNCC4)cc12.Cc1[nH]nc2c(Cl)cc(B3OC(C)(C)C(C)(C)O3)cc12.Cc1[nH]nc2c(Cl)cc(Br)cc12.NN.O.[C-]#[N+]c1ccc(NC(=O)Oc2ccccc2)cc1.
What is the InChIKey of 1-(5-bromo-3-chloro-2-fluorophenyl)ethanone;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrazine;phenyl N-(4-isocyanophenyl)carbamate;hydrate?
The InChIKey is SKAHQHWMMOSQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O.C15H15ClN6O.C14H18BClN2O2.C14H10N2O2.C8H5BrClFO.C8H6BrClN2.H4N2.H2O/c1-8-10-6-9(7-11(17)15(10)20-19-8)14-13(16(18)23)12-4-2-3-5-22(12)21-14;1-7-9-4-8(5-10(16)14(9)20-19-7)13-12(15(17)23)11-6-18-2-3-22(11)21-13;1-8-10-6-9(7-11(16)12(10)18-17-8)15-19-13(2,3)14(4,5)20-15;1-15-11-7-9-12(10-8-11)16-14(17)18-13-5-3-2-4-6-13;1-4(12)6-2-5(9)3-7(10)8(6)11;1-4-6-2-5(9)3-7(10)8(6)12-11-4;1-2;/h6-7H,2-5H2,1H3,(H2,18,23)(H,19,20);4-5,18H,2-3,6H2,1H3,(H2,17,23)(H,19,20);6-7H,1-5H3,(H,17,18);2-10H,(H,16,17);2-3H,1H3;2-3H,1H3,(H,11,12);1-2H2;1H2.
What are the key properties of 1-(5-bromo-3-chloro-2-fluorophenyl)ethanone;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrazine;phenyl N-(4-isocyanophenyl)carbamate;hydrate?
1-(5-bromo-3-chloro-2-fluorophenyl)ethanone;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrazine;phenyl N-(4-isocyanophenyl)carbamate;hydrate has a molecular weight of 1738.44 g/mol, XLogP of 15.81, 8 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-chloro-2-fluorophenyl)ethanone;5-bromo-7-chloro-3-methyl-2H-indazole;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxamide;2-(7-chloro-3-methyl-2H-indazol-5-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide;7-chloro-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-indazole;hydrazine;phenyl N-(4-isocyanophenyl)carbamate;hydrate is sourced from PubChem (CID 159073711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).