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

C36H38BClN14O2 — CID 161212181

IUPAC6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SMILESCn1ccc(-c2nc(N)cnc2-c2ccc3[nH]ncc3c2)n1.Cn1ccc(B2OC(C)(C)C(C)(C)O2)n1.Nc1cnc(-c2ccc3[nH]ncc3c2)c(Cl)n1
InChIInChI=1S/C15H13N7.C11H8ClN5.C10H17BN2O2/c1-22-5-4-12(21-22)15-14(17-8-13(16)19-15)9-2-3-11-10(6-9)7-18-20-11;12-11-10(14-5-9(13)16-11)6-1-2-8-7(3-6)4-15-17-8;1-9(2)10(3,4)15-11(14-9)8-6-7-13(5)12-8/h2-8H,1H3,(H2,16,19)(H,18,20);1-5H,(H2,13,16)(H,15,17);6-7H,1-5H3
InChIKeyUWJQEFYTVXIZTO-UHFFFAOYSA-N
MW745.06 g/mol
LogP4.98
Rot. Bonds4

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

6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (PubChem CID 161212181) has the molecular formula C36H38BClN14O2 and a molecular weight of 745.06 g/mol. Its IUPAC name is 6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.

Molecular Properties

Compound Name6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
PubChem CID161212181
Molecular FormulaC36H38BClN14O2
Molecular Weight745.06 g/mol
Exact Mass744.31
IUPAC Name6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
SMILESCn1ccc(-c2nc(N)cnc2-c2ccc3[nH]ncc3c2)n1.Cn1ccc(B2OC(C)(C)C(C)(C)O2)n1.Nc1cnc(-c2ccc3[nH]ncc3c2)c(Cl)n1
InChIInChI=1S/C15H13N7.C11H8ClN5.C10H17BN2O2/c1-22-5-4-12(21-22)15-14(17-8-13(16)19-15)9-2-3-11-10(6-9)7-18-20-11;12-11-10(14-5-9(13)16-11)6-1-2-8-7(3-6)4-15-17-8;1-9(2)10(3,4)15-11(14-9)8-6-7-13(5)12-8/h2-8H,1H3,(H2,16,19)(H,18,20);1-5H,(H2,13,16)(H,15,17);6-7H,1-5H3
InChIKeyUWJQEFYTVXIZTO-UHFFFAOYSA-N
XLogP4.98
TPSA215.06 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.06
LogP ≤ 54.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

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

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Related Compounds

2-chloro-6-(3,5-dimethyl-1H-pyrazol-4-yl)pyrazine;2-chloro-6-(1-ethyl-3,5-dimethylpyrazol-4-yl)pyrazine;2,6-dichloropyrazine;3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;6-(1-ethyl-3,5-dimethylpyrazol-4-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;iodoethane;4-methylaniline
CID 157439348
5-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(2-pyridin-2-ylpropan-2-yl)triazol-4-yl]pyrazin-2-amine
CID 154657788
5-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(1-pyridin-2-ylethyl)triazol-4-yl]pyrazin-2-amine
CID 154657883
5-(7-chloro-1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine
CID 154658105
5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine
CID 154658174
5-(3-chloro-2H-indazol-5-yl)-6-[[2-methyl-2-[(Z)-prop-1-enyl]hydrazinyl]methyl]-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine;ethane
CID 154658210
5-(3-methyl-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine
CID 154658226
5-(3-chloro-2H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)-3-[1-(pyridin-2-ylmethyl)triazol-4-yl]pyrazin-2-amine
CID 155003047
2-chloroacetaldehyde;5-chloro-6-phenylimidazo[1,2-a]pyrazin-8-amine;6-chloro-5-phenylpyrazin-2-amine;5,8-dichloro-6-phenylimidazo[1,2-a]pyrazine;3,6-dichloro-5-phenylpyrazin-2-amine;5-(1H-indazol-5-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole
CID 157330219
4-chloro-3-iodopyridine;5-(4-chloro-3-pyridinyl)-1-methyl-3-[(E)-2-phenylethenyl]indazole;5-(4-chloro-3-pyridinyl)-3-[(E)-2-phenylethenyl]-1H-indazole;1-methyl-3-[(E)-2-phenylethenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 157400458
5-chloro-1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine;5-chloro-3-naphthalen-2-yl-1H-pyrazolo[4,3-b]pyridine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridin-5-amine;1-methyl-3-naphthalen-2-ylpyrazolo[4,3-b]pyridine
CID 157408389
6-Chloro-5-(8-chloroquinolin-6-yl)pyrazin-2-amine;5-(8-chloroquinolin-6-yl)-6-(1-cyclopropylpyrazol-3-yl)pyrazin-2-amine;1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole
CID 157593837

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The IUPAC name of 6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole (CID 161212181) is 6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole.
What is the SMILES notation for 6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The canonical SMILES for 6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is Cn1ccc(-c2nc(N)cnc2-c2ccc3[nH]ncc3c2)n1.Cn1ccc(B2OC(C)(C)C(C)(C)O2)n1.Nc1cnc(-c2ccc3[nH]ncc3c2)c(Cl)n1.
What is the InChIKey of 6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
The InChIKey is UWJQEFYTVXIZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7.C11H8ClN5.C10H17BN2O2/c1-22-5-4-12(21-22)15-14(17-8-13(16)19-15)9-2-3-11-10(6-9)7-18-20-11;12-11-10(14-5-9(13)16-11)6-1-2-8-7(3-6)4-15-17-8;1-9(2)10(3,4)15-11(14-9)8-6-7-13(5)12-8/h2-8H,1H3,(H2,16,19)(H,18,20);1-5H,(H2,13,16)(H,15,17);6-7H,1-5H3.
What are the key properties of 6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole?
6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole has a molecular weight of 745.06 g/mol, XLogP of 4.98, 4 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(1H-indazol-5-yl)pyrazin-2-amine;5-(1H-indazol-5-yl)-6-(1-methylpyrazol-3-yl)pyrazin-2-amine;1-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole is sourced from PubChem (CID 161212181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).