dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[2-(1-methylpyrazol-4-yl)quinazolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1,1-dichloroethane;hydride;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidine;oxido formate

C56H67BCl2IK2N15O7 — CID 159237377

IUPACdipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[2-(1-methylpyrazol-4-yl)quinazolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1,1-dichloroethane;hydride;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidine;oxido formate
SMILESCC(Cl)Cl.CCC(=O)N1CCn2c(C3CC3)nc(-c3cccc4nc(-c5cnn(C)c5)ncc34)c2C1.CCC(=O)N1CCn2c(C3CC3)nc(I)c2C1.Cn1cc(-c2ncc3c(B4OC(C)(C)C(C)(C)O4)ccnc3n2)cn1.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C24H25N7O.C17H20BN5O2.C12H16IN3O.C2H4Cl2.CH2O3.2K.H/c1-3-21(32)30-9-10-31-20(14-30)22(28-24(31)15-7-8-15)17-5-4-6-19-18(17)12-25-23(27-19)16-11-26-29(2)13-16;1-16(2)17(3,4)25-18(24-16)13-6-7-19-15-12(13)9-20-14(22-15)11-8-21-23(5)10-11;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;;;/h4-6,11-13,15H,3,7-10,14H2,1-2H3;6-10H,1-5H3;8H,2-7H2,1H3;2H,1H3;1,3H;;;/q;;;;;2*+1;-1/p-1
InChIKeyYIIVEGBLPZUWAD-UHFFFAOYSA-M
MW1349.07 g/mol
LogP1.73
Rot. Bonds9

About dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[2-(1-methylpyrazol-4-yl)quinazolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1,1-dichloroethane;hydride;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidine;oxido formate

dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[2-(1-methylpyrazol-4-yl)quinazolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1,1-dichloroethane;hydride;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidine;oxido formate (PubChem CID 159237377) has the molecular formula C56H67BCl2IK2N15O7 and a molecular weight of 1349.07 g/mol. Its IUPAC name is dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[2-(1-methylpyrazol-4-yl)quinazolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1,1-dichloroethane;hydride;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidine;oxido formate.

Molecular Properties

Compound Namedipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[2-(1-methylpyrazol-4-yl)quinazolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1,1-dichloroethane;hydride;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidine;oxido formate
PubChem CID159237377
Molecular FormulaC56H67BCl2IK2N15O7
Molecular Weight1349.07 g/mol
Exact Mass1347.31
IUPAC Namedipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[2-(1-methylpyrazol-4-yl)quinazolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1,1-dichloroethane;hydride;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidine;oxido formate
SMILESCC(Cl)Cl.CCC(=O)N1CCn2c(C3CC3)nc(-c3cccc4nc(-c5cnn(C)c5)ncc34)c2C1.CCC(=O)N1CCn2c(C3CC3)nc(I)c2C1.Cn1cc(-c2ncc3c(B4OC(C)(C)C(C)(C)O4)ccnc3n2)cn1.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C24H25N7O.C17H20BN5O2.C12H16IN3O.C2H4Cl2.CH2O3.2K.H/c1-3-21(32)30-9-10-31-20(14-30)22(28-24(31)15-7-8-15)17-5-4-6-19-18(17)12-25-23(27-19)16-11-26-29(2)13-16;1-16(2)17(3,4)25-18(24-16)13-6-7-19-15-12(13)9-20-14(22-15)11-8-21-23(5)10-11;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;;;/h4-6,11-13,15H,3,7-10,14H2,1-2H3;6-10H,1-5H3;8H,2-7H2,1H3;2H,1H3;1,3H;;;/q;;;;;2*+1;-1/p-1
InChIKeyYIIVEGBLPZUWAD-UHFFFAOYSA-M
XLogP1.73
TPSA244.17 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds9
Heavy Atoms84
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001349.07
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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'}

Analyze dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[2-(1-methylpyrazol-4-yl)quinazolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1,1-dichloroethane;hydride;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidine;oxido formate with MolForge

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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)propan-1-one;1-[3-cyclopropyl-1-[2-(1-methylpyrazol-4-yl)quinazolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1,1-dichloroethane;hydride;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidine;oxido formate?
The IUPAC name of dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[2-(1-methylpyrazol-4-yl)quinazolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1,1-dichloroethane;hydride;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidine;oxido formate (CID 159237377) is dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[2-(1-methylpyrazol-4-yl)quinazolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1,1-dichloroethane;hydride;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidine;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)propan-1-one;1-[3-cyclopropyl-1-[2-(1-methylpyrazol-4-yl)quinazolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1,1-dichloroethane;hydride;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidine;oxido formate?
The canonical SMILES for dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[2-(1-methylpyrazol-4-yl)quinazolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1,1-dichloroethane;hydride;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidine;oxido formate is CC(Cl)Cl.CCC(=O)N1CCn2c(C3CC3)nc(-c3cccc4nc(-c5cnn(C)c5)ncc34)c2C1.CCC(=O)N1CCn2c(C3CC3)nc(I)c2C1.Cn1cc(-c2ncc3c(B4OC(C)(C)C(C)(C)O4)ccnc3n2)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)propan-1-one;1-[3-cyclopropyl-1-[2-(1-methylpyrazol-4-yl)quinazolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1,1-dichloroethane;hydride;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidine;oxido formate?
The InChIKey is YIIVEGBLPZUWAD-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H25N7O.C17H20BN5O2.C12H16IN3O.C2H4Cl2.CH2O3.2K.H/c1-3-21(32)30-9-10-31-20(14-30)22(28-24(31)15-7-8-15)17-5-4-6-19-18(17)12-25-23(27-19)16-11-26-29(2)13-16;1-16(2)17(3,4)25-18(24-16)13-6-7-19-15-12(13)9-20-14(22-15)11-8-21-23(5)10-11;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;;;/h4-6,11-13,15H,3,7-10,14H2,1-2H3;6-10H,1-5H3;8H,2-7H2,1H3;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)propan-1-one;1-[3-cyclopropyl-1-[2-(1-methylpyrazol-4-yl)quinazolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1,1-dichloroethane;hydride;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidine;oxido formate?
dipotassium;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)propan-1-one;1-[3-cyclopropyl-1-[2-(1-methylpyrazol-4-yl)quinazolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1,1-dichloroethane;hydride;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidine;oxido formate has a molecular weight of 1349.07 g/mol, XLogP of 1.73, 9 rotatable bonds, 0 hydrogen bond donors, and 20 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)propan-1-one;1-[3-cyclopropyl-1-[2-(1-methylpyrazol-4-yl)quinazolin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one;1,1-dichloroethane;hydride;2-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrido[2,3-d]pyrimidine;oxido formate is sourced from PubChem (CID 159237377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).