6-bromo-2,3-dihydroisoindol-1-one;2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetic acid;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;ethyl 2-bromoacetate;ethyl 2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetate;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]acetic acid;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]-N-pyridazin-4-ylacetamide;2-[3-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindol-2-yl]acetic acid;pyridazin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C128H133B3Br4ClN27O25 — CID 161079028

IUPAC6-bromo-2,3-dihydroisoindol-1-one;2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetic acid;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;ethyl 2-bromoacetate;ethyl 2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetate;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]acetic acid;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]-N-pyridazin-4-ylacetamide;2-[3-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindol-2-yl]acetic acid;pyridazin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC(C)(C)OC(=O)n1ncc2cc(Nc3ccnc(Cl)n3)ccc21.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)C(=O)N(CC(=O)O)C3)OC1(C)C.CCOC(=O)CBr.CCOC(=O)CN1Cc2ccc(Br)cc2C1=O.Nc1ccnnc1.O=C(CN1Cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2C1=O)Nc1ccnnc1.O=C(O)CN1Cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2C1=O.O=C(O)CN1Cc2ccc(Br)cc2C1=O.O=C1NCc2ccc(Br)cc21
InChIInChI=1S/C25H19N9O2.C21H16N6O3.C16H20BNO5.C16H16ClN5O2.C12H24B2O4.C12H12BrNO3.C10H8BrNO3.C8H6BrNO.C4H7BrO2.C4H5N3/c35-23(31-19-5-8-27-28-12-19)14-34-13-16-2-1-15(10-20(16)25(34)36)24-26-7-6-22(32-24)30-18-3-4-21-17(9-18)11-29-33-21;28-19(29)11-27-10-13-2-1-12(8-16(13)21(27)30)20-22-6-5-18(25-20)24-15-3-4-17-14(7-15)9-23-26-17;1-15(2)16(3,4)23-17(22-15)11-6-5-10-8-18(9-13(19)20)14(21)12(10)7-11;1-16(2,3)24-15(23)22-12-5-4-11(8-10(12)9-19-22)20-13-6-7-18-14(17)21-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2-17-11(15)7-14-6-8-3-4-9(13)5-10(8)12(14)16;11-7-2-1-6-4-12(5-9(13)14)10(15)8(6)3-7;9-6-2-1-5-4-10-8(11)7(5)3-6;1-2-7-4(6)3-5;5-4-1-2-6-7-3-4/h1-12H,13-14H2,(H,29,33)(H,26,30,32)(H,27,31,35);1-9H,10-11H2,(H,23,26)(H,28,29)(H,22,24,25);5-7H,8-9H2,1-4H3,(H,19,20);4-9H,1-3H3,(H,18,20,21);1-8H3;3-5H,2,6-7H2,1H3;1-3H,4-5H2,(H,13,14);1-3H,4H2,(H,10,11);2-3H2,1H3;1-3H,(H2,5,6)
InChIKeyUFQWSJNHDKOMKU-UHFFFAOYSA-N
MW2837.14 g/mol
LogP19.39
Rot. Bonds24

About 6-bromo-2,3-dihydroisoindol-1-one;2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetic acid;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;ethyl 2-bromoacetate;ethyl 2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetate;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]acetic acid;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]-N-pyridazin-4-ylacetamide;2-[3-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindol-2-yl]acetic acid;pyridazin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

6-bromo-2,3-dihydroisoindol-1-one;2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetic acid;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;ethyl 2-bromoacetate;ethyl 2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetate;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]acetic acid;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]-N-pyridazin-4-ylacetamide;2-[3-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindol-2-yl]acetic acid;pyridazin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 161079028) has the molecular formula C128H133B3Br4ClN27O25 and a molecular weight of 2837.14 g/mol. Its IUPAC name is 6-bromo-2,3-dihydroisoindol-1-one;2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetic acid;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;ethyl 2-bromoacetate;ethyl 2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetate;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]acetic acid;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]-N-pyridazin-4-ylacetamide;2-[3-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindol-2-yl]acetic acid;pyridazin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name6-bromo-2,3-dihydroisoindol-1-one;2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetic acid;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;ethyl 2-bromoacetate;ethyl 2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetate;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]acetic acid;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]-N-pyridazin-4-ylacetamide;2-[3-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindol-2-yl]acetic acid;pyridazin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID161079028
Molecular FormulaC128H133B3Br4ClN27O25
Molecular Weight2837.14 g/mol
Exact Mass2831.67
IUPAC Name6-bromo-2,3-dihydroisoindol-1-one;2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetic acid;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;ethyl 2-bromoacetate;ethyl 2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetate;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]acetic acid;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]-N-pyridazin-4-ylacetamide;2-[3-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindol-2-yl]acetic acid;pyridazin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESCC(C)(C)OC(=O)n1ncc2cc(Nc3ccnc(Cl)n3)ccc21.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)C(=O)N(CC(=O)O)C3)OC1(C)C.CCOC(=O)CBr.CCOC(=O)CN1Cc2ccc(Br)cc2C1=O.Nc1ccnnc1.O=C(CN1Cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2C1=O)Nc1ccnnc1.O=C(O)CN1Cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2C1=O.O=C(O)CN1Cc2ccc(Br)cc2C1=O.O=C1NCc2ccc(Br)cc21
InChIInChI=1S/C25H19N9O2.C21H16N6O3.C16H20BNO5.C16H16ClN5O2.C12H24B2O4.C12H12BrNO3.C10H8BrNO3.C8H6BrNO.C4H7BrO2.C4H5N3/c35-23(31-19-5-8-27-28-12-19)14-34-13-16-2-1-15(10-20(16)25(34)36)24-26-7-6-22(32-24)30-18-3-4-21-17(9-18)11-29-33-21;28-19(29)11-27-10-13-2-1-12(8-16(13)21(27)30)20-22-6-5-18(25-20)24-15-3-4-17-14(7-15)9-23-26-17;1-15(2)16(3,4)23-17(22-15)11-6-5-10-8-18(9-13(19)20)14(21)12(10)7-11;1-16(2,3)24-15(23)22-12-5-4-11(8-10(12)9-19-22)20-13-6-7-18-14(17)21-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2-17-11(15)7-14-6-8-3-4-9(13)5-10(8)12(14)16;11-7-2-1-6-4-12(5-9(13)14)10(15)8(6)3-7;9-6-2-1-5-4-10-8(11)7(5)3-6;1-2-7-4(6)3-5;5-4-1-2-6-7-3-4/h1-12H,13-14H2,(H,29,33)(H,26,30,32)(H,27,31,35);1-9H,10-11H2,(H,23,26)(H,28,29)(H,22,24,25);5-7H,8-9H2,1-4H3,(H,19,20);4-9H,1-3H3,(H,18,20,21);1-8H3;3-5H,2,6-7H2,1H3;1-3H,4-5H2,(H,13,14);1-3H,4H2,(H,10,11);2-3H2,1H3;1-3H,(H2,5,6)
InChIKeyUFQWSJNHDKOMKU-UHFFFAOYSA-N
XLogP19.39
TPSA672.12 Ų
H-Bond Donors11
H-Bond Acceptors40
Rotatable Bonds24
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002837.14
LogP ≤ 519.39
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-bromo-2,3-dihydroisoindol-1-one;2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetic acid;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;ethyl 2-bromoacetate;ethyl 2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetate;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]acetic acid;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]-N-pyridazin-4-ylacetamide;2-[3-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindol-2-yl]acetic acid;pyridazin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Related Compounds

CID 157713922
CID 157713922
CID 157804868
CID 157804868
CID 159054099
CID 159054099
CID 157276790
CID 157276790
CID 157302381
CID 157302381
6-bromo-2,3-dihydro-1H-indole;6-bromo-1H-indole;1-(6-bromoindol-1-yl)-2-(4-methylpiperazin-1-yl)ethanone;N-(2-chloropyrimidin-4-yl)-1H-isoindol-5-amine;1-[6-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2,3-dihydroindol-1-yl]-2-(4-methylpiperazin-1-yl)ethanone;2-(4-methylpiperazin-1-yl)acetic acid;2-(4-methylpiperazin-1-yl)-1-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindol-1-yl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 157312498
CID 157321284
CID 157321284
CID 157588022
CID 157588022
CID 157826299
CID 157826299
CID 158013478
CID 158013478
5-bromo-2,3-dihydro-1H-isoindole;5-bromo-2-methyl-1,3-dihydroisoindole;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;N-[2-(2-methyl-1,3-dihydroisoindol-5-yl)pyrimidin-4-yl]-1H-indazol-5-amine;2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydroisoindole;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydrochloride
CID 158219307
sodium;6-bromo-1H-isoindole;6-bromo-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;ethyl 7-bromoheptanoate;ethyl 7-(6-bromoindazol-1-yl)heptanoate;ethyl 7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoate;ethyl 7-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]heptanoate;methane;7-[6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]indazol-1-yl]heptanoic acid;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrate
CID 158430687

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-dihydroisoindol-1-one;2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetic acid;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;ethyl 2-bromoacetate;ethyl 2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetate;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]acetic acid;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]-N-pyridazin-4-ylacetamide;2-[3-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindol-2-yl]acetic acid;pyridazin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 6-bromo-2,3-dihydroisoindol-1-one;2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetic acid;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;ethyl 2-bromoacetate;ethyl 2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetate;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]acetic acid;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]-N-pyridazin-4-ylacetamide;2-[3-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindol-2-yl]acetic acid;pyridazin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 161079028) is 6-bromo-2,3-dihydroisoindol-1-one;2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetic acid;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;ethyl 2-bromoacetate;ethyl 2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetate;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]acetic acid;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]-N-pyridazin-4-ylacetamide;2-[3-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindol-2-yl]acetic acid;pyridazin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 6-bromo-2,3-dihydroisoindol-1-one;2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetic acid;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;ethyl 2-bromoacetate;ethyl 2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetate;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]acetic acid;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]-N-pyridazin-4-ylacetamide;2-[3-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindol-2-yl]acetic acid;pyridazin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 6-bromo-2,3-dihydroisoindol-1-one;2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetic acid;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;ethyl 2-bromoacetate;ethyl 2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetate;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]acetic acid;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]-N-pyridazin-4-ylacetamide;2-[3-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindol-2-yl]acetic acid;pyridazin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC(C)(C)OC(=O)n1ncc2cc(Nc3ccnc(Cl)n3)ccc21.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3c(c2)C(=O)N(CC(=O)O)C3)OC1(C)C.CCOC(=O)CBr.CCOC(=O)CN1Cc2ccc(Br)cc2C1=O.Nc1ccnnc1.O=C(CN1Cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2C1=O)Nc1ccnnc1.O=C(O)CN1Cc2ccc(-c3nccc(Nc4ccc5[nH]ncc5c4)n3)cc2C1=O.O=C(O)CN1Cc2ccc(Br)cc2C1=O.O=C1NCc2ccc(Br)cc21.
What is the InChIKey of 6-bromo-2,3-dihydroisoindol-1-one;2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetic acid;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;ethyl 2-bromoacetate;ethyl 2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetate;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]acetic acid;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]-N-pyridazin-4-ylacetamide;2-[3-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindol-2-yl]acetic acid;pyridazin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is UFQWSJNHDKOMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N9O2.C21H16N6O3.C16H20BNO5.C16H16ClN5O2.C12H24B2O4.C12H12BrNO3.C10H8BrNO3.C8H6BrNO.C4H7BrO2.C4H5N3/c35-23(31-19-5-8-27-28-12-19)14-34-13-16-2-1-15(10-20(16)25(34)36)24-26-7-6-22(32-24)30-18-3-4-21-17(9-18)11-29-33-21;28-19(29)11-27-10-13-2-1-12(8-16(13)21(27)30)20-22-6-5-18(25-20)24-15-3-4-17-14(7-15)9-23-26-17;1-15(2)16(3,4)23-17(22-15)11-6-5-10-8-18(9-13(19)20)14(21)12(10)7-11;1-16(2,3)24-15(23)22-12-5-4-11(8-10(12)9-19-22)20-13-6-7-18-14(17)21-13;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-2-17-11(15)7-14-6-8-3-4-9(13)5-10(8)12(14)16;11-7-2-1-6-4-12(5-9(13)14)10(15)8(6)3-7;9-6-2-1-5-4-10-8(11)7(5)3-6;1-2-7-4(6)3-5;5-4-1-2-6-7-3-4/h1-12H,13-14H2,(H,29,33)(H,26,30,32)(H,27,31,35);1-9H,10-11H2,(H,23,26)(H,28,29)(H,22,24,25);5-7H,8-9H2,1-4H3,(H,19,20);4-9H,1-3H3,(H,18,20,21);1-8H3;3-5H,2,6-7H2,1H3;1-3H,4-5H2,(H,13,14);1-3H,4H2,(H,10,11);2-3H2,1H3;1-3H,(H2,5,6).
What are the key properties of 6-bromo-2,3-dihydroisoindol-1-one;2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetic acid;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;ethyl 2-bromoacetate;ethyl 2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetate;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]acetic acid;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]-N-pyridazin-4-ylacetamide;2-[3-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindol-2-yl]acetic acid;pyridazin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
6-bromo-2,3-dihydroisoindol-1-one;2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetic acid;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;ethyl 2-bromoacetate;ethyl 2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetate;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]acetic acid;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]-N-pyridazin-4-ylacetamide;2-[3-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindol-2-yl]acetic acid;pyridazin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2837.14 g/mol, XLogP of 19.39, 24 rotatable bonds, 11 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-dihydroisoindol-1-one;2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetic acid;tert-butyl 5-[(2-chloropyrimidin-4-yl)amino]indazole-1-carboxylate;ethyl 2-bromoacetate;ethyl 2-(5-bromo-3-oxo-1H-isoindol-2-yl)acetate;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]acetic acid;2-[5-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-3-oxo-1H-isoindol-2-yl]-N-pyridazin-4-ylacetamide;2-[3-oxo-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-isoindol-2-yl]acetic acid;pyridazin-4-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 161079028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).