dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1,1-dichloroethane;hydride;[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]boronic acid;oxido formate

C49H58BCl2IK2N14O7 — CID 159435808

About dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1,1-dichloroethane;hydride;[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]boronic acid;oxido formate

dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1,1-dichloroethane;hydride;[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]boronic acid;oxido formate (PubChem CID 159435808) has the molecular formula C49H58BCl2IK2N14O7 and a molecular weight of 1241.91 g/mol. Its IUPAC name is dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1,1-dichloroethane;hydride;[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]boronic acid;oxido formate.

Molecular Properties

• Compound Name: dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1,1-dichloroethane;hydride;[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]boronic acid;oxido formate
• PubChem CID: 159435808
• Molecular Formula: C49H58BCl2IK2N14O7
• Molecular Weight: 1241.91 g/mol
• Exact Mass: 1240.24
• IUPAC Name: dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1,1-dichloroethane;hydride;[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]boronic acid;oxido formate
• SMILES: CC(=O)N1CCn2c(C3CC3)nc(-c3ccnc4c3cc(-c3ccn(C)n3)n4C)c2C1.CC(=O)N1CCn2c(C3CC3)nc(I)c2C1.CC(Cl)Cl.Cn1cc(-c2cc3c(B(O)O)ccnc3n2C)cn1.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C23H25N7O.C12H13BN4O2.C11H14IN3O.C2H4Cl2.CH2O3.2K.H/c1-14(31)29-10-11-30-20(13-29)21(25-22(30)15-4-5-15)16-6-8-24-23-17(16)12-19(28(23)3)18-7-9-27(2)26-18;1-16-7-8(6-15-16)11-5-9-10(13(18)19)3-4-14-12(9)17(11)2;1-7(16)14-4-5-15-9(6-14)10(12)13-11(15)8-2-3-8;1-2(3)4;2-1-4-3;;;/h6-9,12,15H,4-5,10-11,13H2,1-3H3;3-7,18-19H,1-2H3;8H,2-6H2,1H3;2H,1H3;1,3H;;;/q;;;;;2*+1;-1/p-1
• InChIKey: HIDLXHJKUBIHPG-UHFFFAOYSA-M
• XLogP: -1.18
• TPSA: 237.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 7
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1241.91
LogP ≤ 5	-1.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1,1-dichloroethane;hydride;[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]boronic acid;oxido formate?

The IUPAC name of dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1,1-dichloroethane;hydride;[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]boronic acid;oxido formate (CID 159435808) is dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1,1-dichloroethane;hydride;[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]boronic acid;oxido formate.

What is the SMILES notation for dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1,1-dichloroethane;hydride;[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]boronic acid;oxido formate?

The canonical SMILES for dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1,1-dichloroethane;hydride;[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]boronic acid;oxido formate is CC(=O)N1CCn2c(C3CC3)nc(-c3ccnc4c3cc(-c3ccn(C)n3)n4C)c2C1.CC(=O)N1CCn2c(C3CC3)nc(I)c2C1.CC(Cl)Cl.Cn1cc(-c2cc3c(B(O)O)ccnc3n2C)cn1.O=CO[O-].[H-].[K+].[K+].

What is the InChIKey of dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1,1-dichloroethane;hydride;[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]boronic acid;oxido formate?

The InChIKey is HIDLXHJKUBIHPG-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H25N7O.C12H13BN4O2.C11H14IN3O.C2H4Cl2.CH2O3.2K.H/c1-14(31)29-10-11-30-20(13-29)21(25-22(30)15-4-5-15)16-6-8-24-23-17(16)12-19(28(23)3)18-7-9-27(2)26-18;1-16-7-8(6-15-16)11-5-9-10(13(18)19)3-4-14-12(9)17(11)2;1-7(16)14-4-5-15-9(6-14)10(12)13-11(15)8-2-3-8;1-2(3)4;2-1-4-3;;;/h6-9,12,15H,4-5,10-11,13H2,1-3H3;3-7,18-19H,1-2H3;8H,2-6H2,1H3;2H,1H3;1,3H;;;/q;;;;;2*+1;-1/p-1.

What are the key properties of dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1,1-dichloroethane;hydride;[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]boronic acid;oxido formate?

dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1,1-dichloroethane;hydride;[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]boronic acid;oxido formate has a molecular weight of 1241.91 g/mol, XLogP of -1.18, 7 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1-[3-cyclopropyl-1-[1-methyl-2-(1-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1,1-dichloroethane;hydride;[1-methyl-2-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-4-yl]boronic acid;oxido formate is sourced from PubChem (CID 159435808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).