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

C61H66BCl2IK2N14O11S2 — CID 159203477

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

dipotassium;[1-(benzenesulfonyl)-6-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-3-yl]boronic acid;1-[1-[1-(benzenesulfonyl)-6-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-3-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1,1-dichloroethane;hydride;oxido formate (PubChem CID 159203477) has the molecular formula C61H66BCl2IK2N14O11S2 and a molecular weight of 1522.24 g/mol. Its IUPAC name is dipotassium;[1-(benzenesulfonyl)-6-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-3-yl]boronic acid;1-[1-[1-(benzenesulfonyl)-6-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-3-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1,1-dichloroethane;hydride;oxido formate.

Molecular Properties

• Compound Name: dipotassium;[1-(benzenesulfonyl)-6-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-3-yl]boronic acid;1-[1-[1-(benzenesulfonyl)-6-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-3-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1,1-dichloroethane;hydride;oxido formate
• PubChem CID: 159203477
• Molecular Formula: C61H66BCl2IK2N14O11S2
• Molecular Weight: 1522.24 g/mol
• Exact Mass: 1520.23
• IUPAC Name: dipotassium;[1-(benzenesulfonyl)-6-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-3-yl]boronic acid;1-[1-[1-(benzenesulfonyl)-6-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-3-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1,1-dichloroethane;hydride;oxido formate
• SMILES: CC(Cl)Cl.CCC(=O)N1CCn2c(C3CC3)nc(-c3cn(S(=O)(=O)c4ccccc4)c4cc(-c5cnn(C)c5)ncc34)c2C1.CCC(=O)N1CCn2c(C3CC3)nc(I)c2C1.Cn1cc(-c2cc3c(cn2)c(B(O)O)cn3S(=O)(=O)c2ccccc2)cn1.O=CO[O-].[H-].[K+].[K+]
• InChI: InChI=1S/C29H29N7O3S.C17H15BN4O4S.C12H16IN3O.C2H4Cl2.CH2O3.2K.H/c1-3-27(37)34-11-12-35-26(18-34)28(32-29(35)19-9-10-19)23-17-36(40(38,39)21-7-5-4-6-8-21)25-13-24(30-15-22(23)25)20-14-31-33(2)16-20;1-21-10-12(8-20-21)16-7-17-14(9-19-16)15(18(23)24)11-22(17)27(25,26)13-5-3-2-4-6-13;1-2-10(17)15-5-6-16-9(7-15)11(13)14-12(16)8-3-4-8;1-2(3)4;2-1-4-3;;;/h4-8,13-17,19H,3,9-12,18H2,1-2H3;2-11,23-24H,1H3;8H,2-7H2,1H3;2H,1H3;1,3H;;;/q;;;;;2*+1;-1/p-1
• InChIKey: QYJHMEZQCNQLSU-UHFFFAOYSA-M
• XLogP: 1.00
• TPSA: 305.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 13
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1522.24
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of dipotassium;[1-(benzenesulfonyl)-6-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-3-yl]boronic acid;1-[1-[1-(benzenesulfonyl)-6-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-3-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1,1-dichloroethane;hydride;oxido formate (CID 159203477) is dipotassium;[1-(benzenesulfonyl)-6-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-3-yl]boronic acid;1-[1-[1-(benzenesulfonyl)-6-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-3-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1,1-dichloroethane;hydride;oxido formate.

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

The canonical SMILES for dipotassium;[1-(benzenesulfonyl)-6-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-3-yl]boronic acid;1-[1-[1-(benzenesulfonyl)-6-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-3-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1,1-dichloroethane;hydride;oxido formate is CC(Cl)Cl.CCC(=O)N1CCn2c(C3CC3)nc(-c3cn(S(=O)(=O)c4ccccc4)c4cc(-c5cnn(C)c5)ncc34)c2C1.CCC(=O)N1CCn2c(C3CC3)nc(I)c2C1.Cn1cc(-c2cc3c(cn2)c(B(O)O)cn3S(=O)(=O)c2ccccc2)cn1.O=CO[O-].[H-].[K+].[K+].

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

The InChIKey is QYJHMEZQCNQLSU-UHFFFAOYSA-M. The full InChI is InChI=1S/C29H29N7O3S.C17H15BN4O4S.C12H16IN3O.C2H4Cl2.CH2O3.2K.H/c1-3-27(37)34-11-12-35-26(18-34)28(32-29(35)19-9-10-19)23-17-36(40(38,39)21-7-5-4-6-8-21)25-13-24(30-15-22(23)25)20-14-31-33(2)16-20;1-21-10-12(8-20-21)16-7-17-14(9-19-16)15(18(23)24)11-22(17)27(25,26)13-5-3-2-4-6-13;1-2-10(17)15-5-6-16-9(7-15)11(13)14-12(16)8-3-4-8;1-2(3)4;2-1-4-3;;;/h4-8,13-17,19H,3,9-12,18H2,1-2H3;2-11,23-24H,1H3;8H,2-7H2,1H3;2H,1H3;1,3H;;;/q;;;;;2*+1;-1/p-1.

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

dipotassium;[1-(benzenesulfonyl)-6-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-3-yl]boronic acid;1-[1-[1-(benzenesulfonyl)-6-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-3-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1,1-dichloroethane;hydride;oxido formate has a molecular weight of 1522.24 g/mol, XLogP of 1.00, 13 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for dipotassium;[1-(benzenesulfonyl)-6-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-3-yl]boronic acid;1-[1-[1-(benzenesulfonyl)-6-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridin-3-yl]-3-cyclopropyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1,1-dichloroethane;hydride;oxido formate is sourced from PubChem (CID 159203477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).