5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-methyl-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

C38H42BBrN14O2 — CID 161333563

IUPAC5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-methyl-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
SMILESCc1cc(B2OC(C)(C)C(C)(C)O2)cc2cn[nH]c12.Cc1ccn(-c2nc(N)cnc2-c2cc(C)c3[nH]ncc3c2)n1.Cc1ccn(-c2nc(N)cnc2Br)n1
InChIInChI=1S/C16H15N7.C14H19BN2O2.C8H8BrN5/c1-9-5-11(6-12-7-19-21-14(9)12)15-16(20-13(17)8-18-15)23-4-3-10(2)22-23;1-9-6-11(7-10-8-16-17-12(9)10)15-18-13(2,3)14(4,5)19-15;1-5-2-3-14(13-5)8-7(9)11-4-6(10)12-8/h3-8H,1-2H3,(H2,17,20)(H,19,21);6-8H,1-5H3,(H,16,17);2-4H,1H3,(H2,10,12)
InChIKeyVLSSTDGPMCRDPY-UHFFFAOYSA-N
MW817.57 g/mol
LogP5.89
Rot. Bonds4

About 5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-methyl-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole

5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-methyl-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole (PubChem CID 161333563) has the molecular formula C38H42BBrN14O2 and a molecular weight of 817.57 g/mol. Its IUPAC name is 5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-methyl-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole.

Molecular Properties

Compound Name5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-methyl-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
PubChem CID161333563
Molecular FormulaC38H42BBrN14O2
Molecular Weight817.57 g/mol
Exact Mass816.29
IUPAC Name5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-methyl-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
SMILESCc1cc(B2OC(C)(C)C(C)(C)O2)cc2cn[nH]c12.Cc1ccn(-c2nc(N)cnc2-c2cc(C)c3[nH]ncc3c2)n1.Cc1ccn(-c2nc(N)cnc2Br)n1
InChIInChI=1S/C16H15N7.C14H19BN2O2.C8H8BrN5/c1-9-5-11(6-12-7-19-21-14(9)12)15-16(20-13(17)8-18-15)23-4-3-10(2)22-23;1-9-6-11(7-10-8-16-17-12(9)10)15-18-13(2,3)14(4,5)19-15;1-5-2-3-14(13-5)8-7(9)11-4-6(10)12-8/h3-8H,1-2H3,(H2,17,20)(H,19,21);6-8H,1-5H3,(H,16,17);2-4H,1H3,(H2,10,12)
InChIKeyVLSSTDGPMCRDPY-UHFFFAOYSA-N
XLogP5.89
TPSA215.06 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500817.57
LogP ≤ 55.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-methyl-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole with MolForge

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Related Compounds

5-(5-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)pyrazin-2-yl)-1H-indazole
CID 46890771
3-[4-(4-methylpiperazin-1-yl)-1H-pyrrolo[3,2-c]pyridin-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137088374
4-[3-fluoro-5-(3-pyrrolidin-1-ylpropyl)phenyl]-2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridine
CID 145034308
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-4-(3-fluoro-5-methylphenyl)-1H-imidazo[4,5-c]pyridine;1-propylpyrrolidine
CID 145034325
3-[(3S)-3-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine
CID 24871769
3-[4-(1H-indol-3-ylmethyl)piperazin-1-yl]-5-(3-methyl-2H-indazol-5-yl)pyrazin-2-amine
CID 24872011
4-(1H-indazol-5-yl)-7-N-(2-methylphenyl)-1H-pyrazolo[5,4-c]pyridine-3,7-diamine
CID 50995266
N'-[[2-[2-(diethylamino)ethyl-methylamino]-9-(1H-indazol-6-yl)purin-8-yl]methyl]-N'-[9-(1H-indazol-6-yl)purin-2-yl]-N,N-dimethylpropane-1,3-diamine
CID 123488707
[1-[4-[7-[2-[4-(1H-indazol-3-yl)-2-pyridinyl]-7-methyl-2,7-diazaspiro[4.4]nonan-9-yl]-2H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]methylidene-dimethylazanium
CID 123736501
1-[4-[3-amino-6-[2-[3-[[4-(3-aminotriazolo[1,5-a]pyridin-4-yl)phenyl]carbamoylamino]-1H-pyrazol-5-yl]propyl]triazolo[1,5-a]pyridin-4-yl]phenyl]-3-(1H-indazol-3-yl)urea
CID 124002315
3-(1H-indazol-5-yl)-5-methyl-2-pyridin-2-ylpyrazolo[4,3-b]pyridine
CID 134449787
N-[1-[5-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]-1H-indazol-3-yl]ethenyl]-6-pyrrolidin-1-ylpyridin-3-amine
CID 134460315

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-methyl-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole?
The IUPAC name of 5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-methyl-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole (CID 161333563) is 5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-methyl-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole.
What is the SMILES notation for 5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-methyl-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole?
The canonical SMILES for 5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-methyl-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole is Cc1cc(B2OC(C)(C)C(C)(C)O2)cc2cn[nH]c12.Cc1ccn(-c2nc(N)cnc2-c2cc(C)c3[nH]ncc3c2)n1.Cc1ccn(-c2nc(N)cnc2Br)n1.
What is the InChIKey of 5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-methyl-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole?
The InChIKey is VLSSTDGPMCRDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7.C14H19BN2O2.C8H8BrN5/c1-9-5-11(6-12-7-19-21-14(9)12)15-16(20-13(17)8-18-15)23-4-3-10(2)22-23;1-9-6-11(7-10-8-16-17-12(9)10)15-18-13(2,3)14(4,5)19-15;1-5-2-3-14(13-5)8-7(9)11-4-6(10)12-8/h3-8H,1-2H3,(H2,17,20)(H,19,21);6-8H,1-5H3,(H,16,17);2-4H,1H3,(H2,10,12).
What are the key properties of 5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-methyl-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole?
5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-methyl-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole has a molecular weight of 817.57 g/mol, XLogP of 5.89, 4 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;5-(7-methyl-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;7-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole is sourced from PubChem (CID 161333563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).