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

C78H65BCl7N21O3 — CID 157330219

About 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

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 (PubChem CID 157330219) has the molecular formula C78H65BCl7N21O3 and a molecular weight of 1603.50 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 157330219
• Molecular Formula: C78H65BCl7N21O3
• Molecular Weight: 1603.50 g/mol
• Exact Mass: 1599.35
• IUPAC Name: 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
• SMILES: CC1(C)OB(c2ccc3[nH]ncc3c2)OC1(C)C.Clc1nc(-c2ccccc2)c(Cl)n2ccnc12.Nc1cnc(-c2ccccc2)c(Cl)n1.Nc1nc(-c2ccccc2)c(-c2ccc3[nH]ncc3c2)n2ccnc12.Nc1nc(-c2ccccc2)c(Cl)n2ccnc12.Nc1nc(Cl)c(-c2ccccc2)nc1Cl.O=CCCl
• InChI: InChI=1S/C19H14N6.C13H17BN2O2.C12H7Cl2N3.C12H9ClN4.C10H7Cl2N3.C10H8ClN3.C2H3ClO/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;13-10-12-15-6-7-17(12)11(14)9(16-10)8-4-2-1-3-5-8;13-10-9(8-4-2-1-3-5-8)16-11(14)12-15-6-7-17(10)12;11-8-7(6-4-2-1-3-5-6)14-9(12)10(13)15-8;11-10-9(13-6-8(12)14-10)7-4-2-1-3-5-7;3-1-2-4/h1-11H,(H2,20,23)(H,22,24);5-8H,1-4H3,(H,15,16);1-7H;1-7H,(H2,14,16);1-5H,(H2,13,15);1-6H,(H2,12,14);2H,1H2
• InChIKey: BFEVMJPSRSLCAM-UHFFFAOYSA-N
• XLogP: 17.55
• TPSA: 339.10 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 8
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1603.50
LogP ≤ 5	17.55
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CC1(C)OB(c2ccc3[nH]ncc3c2)OC1(C)C.Clc1nc(-c2ccccc2)c(Cl)n2ccnc12.Nc1cnc(-c2ccccc2)c(Cl)n1.Nc1nc(-c2ccccc2)c(-c2ccc3[nH]ncc3c2)n2ccnc12.Nc1nc(-c2ccccc2)c(Cl)n2ccnc12.Nc1nc(Cl)c(-c2ccccc2)nc1Cl.O=CCCl.

What is the InChIKey of 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?

The InChIKey is BFEVMJPSRSLCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6.C13H17BN2O2.C12H7Cl2N3.C12H9ClN4.C10H7Cl2N3.C10H8ClN3.C2H3ClO/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;13-10-12-15-6-7-17(12)11(14)9(16-10)8-4-2-1-3-5-8;13-10-9(8-4-2-1-3-5-8)16-11(14)12-15-6-7-17(10)12;11-8-7(6-4-2-1-3-5-6)14-9(12)10(13)15-8;11-10-9(13-6-8(12)14-10)7-4-2-1-3-5-7;3-1-2-4/h1-11H,(H2,20,23)(H,22,24);5-8H,1-4H3,(H,15,16);1-7H;1-7H,(H2,14,16);1-5H,(H2,13,15);1-6H,(H2,12,14);2H,1H2.

What are the key properties of 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?

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 has a molecular weight of 1603.50 g/mol, XLogP of 17.55, 8 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 157330219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).