6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile;5-bromopyridin-3-amine;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile

C42H36BBrN12O2 — CID 157146654

IUPAC6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile;5-bromopyridin-3-amine;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile
SMILESCC1(C)OB(c2ccc3cnn(-c4cccc(C#N)n4)c3c2)OC1(C)C.N#Cc1cccc(-n2ncc3ccc(-c4cncc(N)c4)cc32)n1.Nc1cncc(Br)c1
InChIInChI=1S/C19H19BN4O2.C18H12N6.C5H5BrN2/c1-18(2)19(3,4)26-20(25-18)14-9-8-13-12-22-24(16(13)10-14)17-7-5-6-15(11-21)23-17;19-8-16-2-1-3-18(23-16)24-17-7-12(4-5-13(17)10-22-24)14-6-15(20)11-21-9-14;6-4-1-5(7)3-8-2-4/h5-10,12H,1-4H3;1-7,9-11H,20H2;1-3H,7H2
InChIKeyAKTYKARCWCGLHR-UHFFFAOYSA-N
MW831.55 g/mol
LogP6.95
Rot. Bonds4

About 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile;5-bromopyridin-3-amine;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile

6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile;5-bromopyridin-3-amine;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile (PubChem CID 157146654) has the molecular formula C42H36BBrN12O2 and a molecular weight of 831.55 g/mol. Its IUPAC name is 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile;5-bromopyridin-3-amine;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile;5-bromopyridin-3-amine;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile
PubChem CID157146654
Molecular FormulaC42H36BBrN12O2
Molecular Weight831.55 g/mol
Exact Mass830.24
IUPAC Name6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile;5-bromopyridin-3-amine;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile
SMILESCC1(C)OB(c2ccc3cnn(-c4cccc(C#N)n4)c3c2)OC1(C)C.N#Cc1cccc(-n2ncc3ccc(-c4cncc(N)c4)cc32)n1.Nc1cncc(Br)c1
InChIInChI=1S/C19H19BN4O2.C18H12N6.C5H5BrN2/c1-18(2)19(3,4)26-20(25-18)14-9-8-13-12-22-24(16(13)10-14)17-7-5-6-15(11-21)23-17;19-8-16-2-1-3-18(23-16)24-17-7-12(4-5-13(17)10-22-24)14-6-15(20)11-21-9-14;6-4-1-5(7)3-8-2-4/h5-10,12H,1-4H3;1-7,9-11H,20H2;1-3H,7H2
InChIKeyAKTYKARCWCGLHR-UHFFFAOYSA-N
XLogP6.95
TPSA205.28 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500831.55
LogP ≤ 56.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile;5-bromopyridin-3-amine;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile with MolForge

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Related Compounds

2-(Aminomethyl)-6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-4-amine;2-[6-[6-(5-amino-3-pyridinyl)indazol-1-yl]-2-pyridinyl]acetonitrile
CID 118663773
3-Bromoaniline;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;3-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]aniline
CID 157279674
5-Bromopyridin-3-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine
CID 157465821
5-[4-(Aminomethyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine;6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile
CID 159816152
6-(5-amino-3-pyridinyl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole-4-carbonitrile;N-[5-[4-cyano-1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-3-pyridinyl]acetamide
CID 160310675
N-[2-(6-bromo-2-pyridinyl)propan-2-yl]acetamide;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;N-[2-[6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-2-pyridinyl]propan-2-yl]acetamide
CID 161207597
Tert-butyl 2-(6-bromo-2-pyridinyl)pyrrolidine-1-carboxylate;tert-butyl 2-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]pyrrolidine-1-carboxylate;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole
CID 161512274
6-Bromopyridine-2-carbonitrile;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile
CID 162035511
2-[4-[3-[4-Amino-5-(2-benzylindazol-6-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]propyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 58529918
1-[6-[3-Amino-3-[6-[4-cyano-2-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propyl]-2-pyridinyl]-6-[6-(1-aminoethyl)-2-pyridinyl]indazole-4-carbonitrile
CID 130249582
2-Chloropyrimidine-4-carbonitrile;2-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-4-carbonitrile;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 157213839
3-Bromoaniline;3-(1-pyridin-2-ylindazol-6-yl)aniline;1-pyridin-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 157263702

Frequently Asked Questions

What is the IUPAC name of 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile;5-bromopyridin-3-amine;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile?
The IUPAC name of 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile;5-bromopyridin-3-amine;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile (CID 157146654) is 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile;5-bromopyridin-3-amine;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile;5-bromopyridin-3-amine;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile;5-bromopyridin-3-amine;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile is CC1(C)OB(c2ccc3cnn(-c4cccc(C#N)n4)c3c2)OC1(C)C.N#Cc1cccc(-n2ncc3ccc(-c4cncc(N)c4)cc32)n1.Nc1cncc(Br)c1.
What is the InChIKey of 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile;5-bromopyridin-3-amine;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile?
The InChIKey is AKTYKARCWCGLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BN4O2.C18H12N6.C5H5BrN2/c1-18(2)19(3,4)26-20(25-18)14-9-8-13-12-22-24(16(13)10-14)17-7-5-6-15(11-21)23-17;19-8-16-2-1-3-18(23-16)24-17-7-12(4-5-13(17)10-22-24)14-6-15(20)11-21-9-14;6-4-1-5(7)3-8-2-4/h5-10,12H,1-4H3;1-7,9-11H,20H2;1-3H,7H2.
What are the key properties of 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile;5-bromopyridin-3-amine;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile?
6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile;5-bromopyridin-3-amine;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile has a molecular weight of 831.55 g/mol, XLogP of 6.95, 4 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carbonitrile;5-bromopyridin-3-amine;6-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 157146654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).