5-chloro-6-phenylimidazo[1,2-a]pyrazin-8-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

C44H40BClN12O2 — CID 159845740

IUPAC5-chloro-6-phenylimidazo[1,2-a]pyrazin-8-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
SMILESCC1(C)OB(c2ccc3[nH]ncc3c2)OC1(C)C.Nc1nc(-c2ccccc2)c(-c2ccc3[nH]ncc3c2)n2ccnc12.Nc1nc(-c2ccccc2)c(Cl)n2ccnc12
InChIInChI=1S/C19H14N6.C13H17BN2O2.C12H9ClN4/c20-18-19-21-8-9-25(19)17(16(23-18)12-4-2-1-3-5-12)13-6-7-15-14(10-13)11-22-24-15;1-12(2)13(3,4)18-14(17-12)10-5-6-11-9(7-10)8-15-16-11;13-10-9(8-4-2-1-3-5-8)16-11(14)12-15-6-7-17(10)12/h1-11H,(H2,20,23)(H,22,24);5-8H,1-4H3,(H,15,16);1-7H,(H2,14,16)
InChIKeyNPGUXIZYIWCZQW-UHFFFAOYSA-N
MW815.15 g/mol
LogP8.02
Rot. Bonds4

About 5-chloro-6-phenylimidazo[1,2-a]pyrazin-8-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

5-chloro-6-phenylimidazo[1,2-a]pyrazin-8-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 (PubChem CID 159845740) has the molecular formula C44H40BClN12O2 and a molecular weight of 815.15 g/mol. Its IUPAC name is 5-chloro-6-phenylimidazo[1,2-a]pyrazin-8-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.

Molecular Properties

Compound Name5-chloro-6-phenylimidazo[1,2-a]pyrazin-8-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
PubChem CID159845740
Molecular FormulaC44H40BClN12O2
Molecular Weight815.15 g/mol
Exact Mass814.32
IUPAC Name5-chloro-6-phenylimidazo[1,2-a]pyrazin-8-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
SMILESCC1(C)OB(c2ccc3[nH]ncc3c2)OC1(C)C.Nc1nc(-c2ccccc2)c(-c2ccc3[nH]ncc3c2)n2ccnc12.Nc1nc(-c2ccccc2)c(Cl)n2ccnc12
InChIInChI=1S/C19H14N6.C13H17BN2O2.C12H9ClN4/c20-18-19-21-8-9-25(19)17(16(23-18)12-4-2-1-3-5-12)13-6-7-15-14(10-13)11-22-24-15;1-12(2)13(3,4)18-14(17-12)10-5-6-11-9(7-10)8-15-16-11;13-10-9(8-4-2-1-3-5-8)16-11(14)12-15-6-7-17(10)12/h1-11H,(H2,20,23)(H,22,24);5-8H,1-4H3,(H,15,16);1-7H,(H2,14,16)
InChIKeyNPGUXIZYIWCZQW-UHFFFAOYSA-N
XLogP8.02
TPSA188.24 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500815.15
LogP ≤ 58.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 5-chloro-6-phenylimidazo[1,2-a]pyrazin-8-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 with MolForge

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Related Compounds

4-[3-[(4-chlorophenyl)methyl]-2-(3-methyl-2H-indazol-5-yl)imidazo[1,2-a]pyrazin-6-yl]morpholine
CID 171352943
N-(2-chlorophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine
CID 171345157
N-(3-chlorophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine
CID 171345470
N-(3-chloro-4-fluorophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine
CID 171345738
N-(4-chlorophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine
CID 171346090
N-(2,5-dichlorophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine
CID 171348264
N-(4-chloro-2-fluorophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine
CID 171349581
N-(4-chlorophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyrazin-3-amine
CID 171355654
N-(2,4-dichlorophenyl)-2-(3-methyl-2H-indazol-5-yl)-6-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyrazin-3-amine
CID 171358640
1-[8-(3-chloro-2H-indazol-5-yl)-7-(3-fluoro-4-isocyanophenyl)imidazo[1,2-c]pyrimidin-5-yl]piperidin-4-amine
CID 171744027
3-[7-[3-[3-(dimethylamino)propyl]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-N-[3-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-indazol-3-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]propyl]-N-methyl-5-(5-methyl-3-pyridinyl)indazol-1-amine
CID 145036249
3-[(2-chloro-3,6-difluorophenyl)methyl]-5-(1H-pyrazol-4-yl)triazolo[4,5-b]pyridine;6-[[5-(5-methyl-1H-pyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 67470809

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-phenylimidazo[1,2-a]pyrazin-8-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?
The IUPAC name of 5-chloro-6-phenylimidazo[1,2-a]pyrazin-8-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 159845740) is 5-chloro-6-phenylimidazo[1,2-a]pyrazin-8-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.
What is the SMILES notation for 5-chloro-6-phenylimidazo[1,2-a]pyrazin-8-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?
The canonical SMILES for 5-chloro-6-phenylimidazo[1,2-a]pyrazin-8-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 is CC1(C)OB(c2ccc3[nH]ncc3c2)OC1(C)C.Nc1nc(-c2ccccc2)c(-c2ccc3[nH]ncc3c2)n2ccnc12.Nc1nc(-c2ccccc2)c(Cl)n2ccnc12.
What is the InChIKey of 5-chloro-6-phenylimidazo[1,2-a]pyrazin-8-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?
The InChIKey is NPGUXIZYIWCZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6.C13H17BN2O2.C12H9ClN4/c20-18-19-21-8-9-25(19)17(16(23-18)12-4-2-1-3-5-12)13-6-7-15-14(10-13)11-22-24-15;1-12(2)13(3,4)18-14(17-12)10-5-6-11-9(7-10)8-15-16-11;13-10-9(8-4-2-1-3-5-8)16-11(14)12-15-6-7-17(10)12/h1-11H,(H2,20,23)(H,22,24);5-8H,1-4H3,(H,15,16);1-7H,(H2,14,16).
What are the key properties of 5-chloro-6-phenylimidazo[1,2-a]pyrazin-8-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?
5-chloro-6-phenylimidazo[1,2-a]pyrazin-8-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 has a molecular weight of 815.15 g/mol, XLogP of 8.02, 4 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-phenylimidazo[1,2-a]pyrazin-8-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 is sourced from PubChem (CID 159845740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).