6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxamide

C56H40Br4N16O2 — CID 158646896

IUPAC6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxamide
SMILESCc1cccc(-n2cc3c(C#N)cc(Br)cc3n2)n1.Cc1cccc(-n2cc3c(C(N)=O)cc(Br)cc3n2)n1.Cc1cccc(-n2ncc3c(C#N)cc(Br)cc32)n1.Cc1cccc(-n2ncc3c(C(N)=O)cc(Br)cc32)n1
InChIInChI=1S/2C14H11BrN4O.2C14H9BrN4/c1-8-3-2-4-13(17-8)19-7-11-10(14(16)20)5-9(15)6-12(11)18-19;1-8-3-2-4-13(18-8)19-12-6-9(15)5-10(14(16)20)11(12)7-17-19;1-9-3-2-4-14(17-9)19-8-12-10(7-16)5-11(15)6-13(12)18-19;1-9-3-2-4-14(18-9)19-13-6-11(15)5-10(7-16)12(13)8-17-19/h2*2-7H,1H3,(H2,16,20);2*2-6,8H,1H3
InChIKeyIBBPUAVZBCBEHG-UHFFFAOYSA-N
MW1288.66 g/mol
LogP11.91
Rot. Bonds6

About 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxamide

6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxamide (PubChem CID 158646896) has the molecular formula C56H40Br4N16O2 and a molecular weight of 1288.66 g/mol. Its IUPAC name is 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxamide.

Molecular Properties

Compound Name6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxamide
PubChem CID158646896
Molecular FormulaC56H40Br4N16O2
Molecular Weight1288.66 g/mol
Exact Mass1284.03
IUPAC Name6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxamide
SMILESCc1cccc(-n2cc3c(C#N)cc(Br)cc3n2)n1.Cc1cccc(-n2cc3c(C(N)=O)cc(Br)cc3n2)n1.Cc1cccc(-n2ncc3c(C#N)cc(Br)cc32)n1.Cc1cccc(-n2ncc3c(C(N)=O)cc(Br)cc32)n1
InChIInChI=1S/2C14H11BrN4O.2C14H9BrN4/c1-8-3-2-4-13(17-8)19-7-11-10(14(16)20)5-9(15)6-12(11)18-19;1-8-3-2-4-13(18-8)19-12-6-9(15)5-10(14(16)20)11(12)7-17-19;1-9-3-2-4-14(17-9)19-8-12-10(7-16)5-11(15)6-13(12)18-19;1-9-3-2-4-14(18-9)19-13-6-11(15)5-10(7-16)12(13)8-17-19/h2*2-7H,1H3,(H2,16,20);2*2-6,8H,1H3
InChIKeyIBBPUAVZBCBEHG-UHFFFAOYSA-N
XLogP11.91
TPSA256.60 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms78
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001288.66
LogP ≤ 511.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

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Related Compounds

3-(4-acetamidophenyl)-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;3-bromo-N-(5-cyano-2-pyridinyl)-N-methylpyrazolo[1,5-a]pyridine-5-carboxamide;methane
CID 157461502
6-(6-Acetyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-(6-acetyl-2-pyridinyl)-2-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;1-(6-bromo-2-pyridinyl)ethanone;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carbonitrile;2-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carbonitrile
CID 157698722
Amino 6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxylate;6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide;6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid
CID 158674525
Methyl 6-bromo-1-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 6-bromo-2-(6-cyano-2-pyridinyl)indazole-4-carboxylate;methyl 1-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;methyl 2-(6-cyano-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carboxylate;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158965323
3-bromo-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;(4-carbamoylphenyl)boronic acid;3-(4-carbamoylphenyl)-N-(5-cyano-2-pyridinyl)-N-(1-pyrazol-1-ylpropan-2-yl)pyrazolo[1,5-a]pyridine-5-carboxamide;methane
CID 160809022
6-bromo-4-ethyl-1-(6-methyl-2-pyridinyl)indazole;6-bromo-4-ethyl-2-(6-methyl-2-pyridinyl)indazole;tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate;tert-butyl N-[6-bromo-2-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate
CID 161280868
6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid;tert-butyl N-[6-bromo-1-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate;tert-butyl N-[6-bromo-2-(6-methyl-2-pyridinyl)indazol-4-yl]carbamate
CID 161604519
6-Bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carbonitrile;2-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole-4-carbonitrile;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 161749779
3-bromo-N-(3-cyanophenyl)-4-methylbenzamide;3-[2-[4-methyl-3-[(1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]-2-oxoethyl]benzonitrile;1-methyl-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 165007042

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxamide?
The IUPAC name of 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxamide (CID 158646896) is 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxamide.
What is the SMILES notation for 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxamide?
The canonical SMILES for 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxamide is Cc1cccc(-n2cc3c(C#N)cc(Br)cc3n2)n1.Cc1cccc(-n2cc3c(C(N)=O)cc(Br)cc3n2)n1.Cc1cccc(-n2ncc3c(C#N)cc(Br)cc32)n1.Cc1cccc(-n2ncc3c(C(N)=O)cc(Br)cc32)n1.
What is the InChIKey of 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxamide?
The InChIKey is IBBPUAVZBCBEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H11BrN4O.2C14H9BrN4/c1-8-3-2-4-13(17-8)19-7-11-10(14(16)20)5-9(15)6-12(11)18-19;1-8-3-2-4-13(18-8)19-12-6-9(15)5-10(14(16)20)11(12)7-17-19;1-9-3-2-4-14(17-9)19-8-12-10(7-16)5-11(15)6-13(12)18-19;1-9-3-2-4-14(18-9)19-13-6-11(15)5-10(7-16)12(13)8-17-19/h2*2-7H,1H3,(H2,16,20);2*2-6,8H,1H3.
What are the key properties of 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxamide?
6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxamide has a molecular weight of 1288.66 g/mol, XLogP of 11.91, 6 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carbonitrile;6-bromo-1-(6-methyl-2-pyridinyl)indazole-4-carboxamide;6-bromo-2-(6-methyl-2-pyridinyl)indazole-4-carboxamide is sourced from PubChem (CID 158646896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).