dipotassium;tert-butyl 4-bromobutanoate;tert-butyl N-[2-(2-chloroimidazol-1-yl)ethyl]carbamate;2-chloro-1H-imidazole;1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;hydride;oxido formate

C42H56BrCl3K2N12O8 — CID 158093276

IUPACdipotassium;tert-butyl 4-bromobutanoate;tert-butyl N-[2-(2-chloroimidazol-1-yl)ethyl]carbamate;2-chloro-1H-imidazole;1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;hydride;oxido formate
SMILESCC(=O)N1CCn2c(Cl)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1.CC(C)(C)OC(=O)CCCBr.CC(C)(C)OC(=O)NCCn1ccnc1Cl.Clc1ncc[nH]1.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C20H20ClN7O.C10H16ClN3O2.C8H15BrO2.C3H3ClN2.CH2O3.2K.H/c1-12(29)27-6-7-28-17(11-27)19(23-20(28)21)13-4-5-16-15(8-13)18(24-26(16)3)14-9-22-25(2)10-14;1-10(2,3)16-9(15)13-5-7-14-6-4-12-8(14)11;1-8(2,3)11-7(10)5-4-6-9;4-3-5-1-2-6-3;2-1-4-3;;;/h4-5,8-10H,6-7,11H2,1-3H3;4,6H,5,7H2,1-3H3,(H,13,15);4-6H2,1-3H3;1-2H,(H,5,6);1,3H;;;/q;;;;;2*+1;-1/p-1
InChIKeySBCASMDORAHDER-UHFFFAOYSA-M
MW1121.44 g/mol
LogP1.04
Rot. Bonds9

About dipotassium;tert-butyl 4-bromobutanoate;tert-butyl N-[2-(2-chloroimidazol-1-yl)ethyl]carbamate;2-chloro-1H-imidazole;1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;hydride;oxido formate

dipotassium;tert-butyl 4-bromobutanoate;tert-butyl N-[2-(2-chloroimidazol-1-yl)ethyl]carbamate;2-chloro-1H-imidazole;1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;hydride;oxido formate (PubChem CID 158093276) has the molecular formula C42H56BrCl3K2N12O8 and a molecular weight of 1121.44 g/mol. Its IUPAC name is dipotassium;tert-butyl 4-bromobutanoate;tert-butyl N-[2-(2-chloroimidazol-1-yl)ethyl]carbamate;2-chloro-1H-imidazole;1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;hydride;oxido formate.

Molecular Properties

Compound Namedipotassium;tert-butyl 4-bromobutanoate;tert-butyl N-[2-(2-chloroimidazol-1-yl)ethyl]carbamate;2-chloro-1H-imidazole;1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;hydride;oxido formate
PubChem CID158093276
Molecular FormulaC42H56BrCl3K2N12O8
Molecular Weight1121.44 g/mol
Exact Mass1118.19
IUPAC Namedipotassium;tert-butyl 4-bromobutanoate;tert-butyl N-[2-(2-chloroimidazol-1-yl)ethyl]carbamate;2-chloro-1H-imidazole;1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;hydride;oxido formate
SMILESCC(=O)N1CCn2c(Cl)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1.CC(C)(C)OC(=O)CCCBr.CC(C)(C)OC(=O)NCCn1ccnc1Cl.Clc1ncc[nH]1.O=CO[O-].[H-].[K+].[K+]
InChIInChI=1S/C20H20ClN7O.C10H16ClN3O2.C8H15BrO2.C3H3ClN2.CH2O3.2K.H/c1-12(29)27-6-7-28-17(11-27)19(23-20(28)21)13-4-5-16-15(8-13)18(24-26(16)3)14-9-22-25(2)10-14;1-10(2,3)16-9(15)13-5-7-14-6-4-12-8(14)11;1-8(2,3)11-7(10)5-4-6-9;4-3-5-1-2-6-3;2-1-4-3;;;/h4-5,8-10H,6-7,11H2,1-3H3;4,6H,5,7H2,1-3H3,(H,13,15);4-6H2,1-3H3;1-2H,(H,5,6);1,3H;;;/q;;;;;2*+1;-1/p-1
InChIKeySBCASMDORAHDER-UHFFFAOYSA-M
XLogP1.04
TPSA234.26 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001121.44
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze dipotassium;tert-butyl 4-bromobutanoate;tert-butyl N-[2-(2-chloroimidazol-1-yl)ethyl]carbamate;2-chloro-1H-imidazole;1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;hydride;oxido formate with MolForge

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Related Compounds

tert-butyl 1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
CID 139543388
1-[1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-3-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 139530508
1-[3-(1,1-dioxothian-4-yl)-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
CID 157123693
dipotassium;1-[3-cyclopropyl-1-[4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;1-(3-cyclopropyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl)ethanone;1,1-dichloroethane;4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;hydride;oxido formate
CID 158701049
1-[3-cyclopropyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridin-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 139530417
2-[3-(7-acetyl-1-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl)azetidin-1-yl]-1-phenylethanone;2-[3-[7-acetyl-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]azetidin-1-yl]-1-phenylethanone;1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 158322536
tert-butyl N-[3-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-3-oxopropyl]carbamate
CID 122158139
tert-butyl N-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]carbamate
CID 146267007
tert-butyl 3-[5-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-5-(1-methylpyrazol-4-yl)indazole-1-carboxylate
CID 71171182
tert-butyl N-[3-[4-(4-amino-2-chloro-3-methylphenyl)pyrazol-1-yl]propyl]carbamate
CID 171916573
tert-butyl 4-[2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]piperazine-1-carboxylate
CID 123919439
tert-butyl 4-[2-[[6-(1-methylpyrazol-4-yl)-9H-indeno[2,1-d]pyrimidin-4-yl]amino]ethyl]piperazine-1-carboxylate
CID 163439512

Frequently Asked Questions

What is the IUPAC name of dipotassium;tert-butyl 4-bromobutanoate;tert-butyl N-[2-(2-chloroimidazol-1-yl)ethyl]carbamate;2-chloro-1H-imidazole;1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;hydride;oxido formate?
The IUPAC name of dipotassium;tert-butyl 4-bromobutanoate;tert-butyl N-[2-(2-chloroimidazol-1-yl)ethyl]carbamate;2-chloro-1H-imidazole;1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;hydride;oxido formate (CID 158093276) is dipotassium;tert-butyl 4-bromobutanoate;tert-butyl N-[2-(2-chloroimidazol-1-yl)ethyl]carbamate;2-chloro-1H-imidazole;1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;hydride;oxido formate.
What is the SMILES notation for dipotassium;tert-butyl 4-bromobutanoate;tert-butyl N-[2-(2-chloroimidazol-1-yl)ethyl]carbamate;2-chloro-1H-imidazole;1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;hydride;oxido formate?
The canonical SMILES for dipotassium;tert-butyl 4-bromobutanoate;tert-butyl N-[2-(2-chloroimidazol-1-yl)ethyl]carbamate;2-chloro-1H-imidazole;1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;hydride;oxido formate is CC(=O)N1CCn2c(Cl)nc(-c3ccc4c(c3)c(-c3cnn(C)c3)nn4C)c2C1.CC(C)(C)OC(=O)CCCBr.CC(C)(C)OC(=O)NCCn1ccnc1Cl.Clc1ncc[nH]1.O=CO[O-].[H-].[K+].[K+].
What is the InChIKey of dipotassium;tert-butyl 4-bromobutanoate;tert-butyl N-[2-(2-chloroimidazol-1-yl)ethyl]carbamate;2-chloro-1H-imidazole;1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;hydride;oxido formate?
The InChIKey is SBCASMDORAHDER-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H20ClN7O.C10H16ClN3O2.C8H15BrO2.C3H3ClN2.CH2O3.2K.H/c1-12(29)27-6-7-28-17(11-27)19(23-20(28)21)13-4-5-16-15(8-13)18(24-26(16)3)14-9-22-25(2)10-14;1-10(2,3)16-9(15)13-5-7-14-6-4-12-8(14)11;1-8(2,3)11-7(10)5-4-6-9;4-3-5-1-2-6-3;2-1-4-3;;;/h4-5,8-10H,6-7,11H2,1-3H3;4,6H,5,7H2,1-3H3,(H,13,15);4-6H2,1-3H3;1-2H,(H,5,6);1,3H;;;/q;;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;tert-butyl 4-bromobutanoate;tert-butyl N-[2-(2-chloroimidazol-1-yl)ethyl]carbamate;2-chloro-1H-imidazole;1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;hydride;oxido formate?
dipotassium;tert-butyl 4-bromobutanoate;tert-butyl N-[2-(2-chloroimidazol-1-yl)ethyl]carbamate;2-chloro-1H-imidazole;1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;hydride;oxido formate has a molecular weight of 1121.44 g/mol, XLogP of 1.04, 9 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;tert-butyl 4-bromobutanoate;tert-butyl N-[2-(2-chloroimidazol-1-yl)ethyl]carbamate;2-chloro-1H-imidazole;1-[3-chloro-1-[1-methyl-3-(1-methylpyrazol-4-yl)indazol-5-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;hydride;oxido formate is sourced from PubChem (CID 158093276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).