4-bromo-2-cyclopropylpyridine;tert-butyl 3-[2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-4,5-dimethylpyrazole-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane

C142H174B2BrI2N25O24 — CID 158047146

IUPAC4-bromo-2-cyclopropylpyridine;tert-butyl 3-[2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-4,5-dimethylpyrazole-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
SMILESBrc1ccnc(C2CC2)c1.CC(C)OB1OC(C)(C)C(C)(C)O1.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccnc(C5CC5)c4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(I)cc3c2)c1C.Cc1c(C(=O)Cc2cnc3[nH]c(-c4ccnc(C5CC5)c4)cc3c2)nn(C(=O)OC(C)(C)C)c1C.Cc1c(C(=O)N(C(=O)OC(C)(C)C)c2cnc3c(c2)cc(B2OC(C)(C)C(C)(C)O2)n3C(=O)OC(C)(C)C)nn(C(=O)OC(C)(C)C)c1C.Cc1c(C(=O)N(C(=O)OC(C)(C)C)c2cnc3c(c2)cc(I)n3C(=O)OC(C)(C)C)nn(C(=O)OC(C)(C)C)c1C
InChIInChI=1S/C34H48BN5O9.C28H36IN5O7.C27H29N5O3.C22H21N5O.C14H13IN4O.C9H19BO3.C8H8BrN/c1-19-20(2)40(29(44)47-32(9,10)11)37-24(19)26(41)38(27(42)45-30(3,4)5)22-16-21-17-23(35-48-33(12,13)34(14,15)49-35)39(25(21)36-18-22)28(43)46-31(6,7)8;1-15-16(2)34(25(38)41-28(9,10)11)31-20(15)22(35)32(23(36)39-26(3,4)5)18-12-17-13-19(29)33(21(17)30-14-18)24(37)40-27(6,7)8;1-15-16(2)32(26(34)35-27(3,4)5)31-24(15)23(33)11-17-10-20-13-22(30-25(20)29-14-17)19-8-9-28-21(12-19)18-6-7-18;1-12-13(2)26-27-21(12)20(28)8-14-7-17-10-19(25-22(17)24-11-14)16-5-6-23-18(9-16)15-3-4-15;1-7-8(2)18-19-13(7)11(20)4-9-3-10-5-12(15)17-14(10)16-6-9;1-7(2)11-10-12-8(3,4)9(5,6)13-10;9-7-3-4-10-8(5-7)6-1-2-6/h16-18H,1-15H3;12-14H,1-11H3;8-10,12-14,18H,6-7,11H2,1-5H3,(H,29,30);5-7,9-11,15H,3-4,8H2,1-2H3,(H,24,25)(H,26,27);3,5-6H,4H2,1-2H3,(H,16,17)(H,18,19);7H,1-6H3;3-6H,1-2H2
InChIKeyFJBANIREUNVPKA-UHFFFAOYSA-N
MW2970.44 g/mol
LogP30.35
Rot. Bonds21

About 4-bromo-2-cyclopropylpyridine;tert-butyl 3-[2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-4,5-dimethylpyrazole-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane

4-bromo-2-cyclopropylpyridine;tert-butyl 3-[2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-4,5-dimethylpyrazole-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane (PubChem CID 158047146) has the molecular formula C142H174B2BrI2N25O24 and a molecular weight of 2970.44 g/mol. Its IUPAC name is 4-bromo-2-cyclopropylpyridine;tert-butyl 3-[2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-4,5-dimethylpyrazole-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane.

Molecular Properties

Compound Name4-bromo-2-cyclopropylpyridine;tert-butyl 3-[2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-4,5-dimethylpyrazole-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
PubChem CID158047146
Molecular FormulaC142H174B2BrI2N25O24
Molecular Weight2970.44 g/mol
Exact Mass2968.06
IUPAC Name4-bromo-2-cyclopropylpyridine;tert-butyl 3-[2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-4,5-dimethylpyrazole-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane
SMILESBrc1ccnc(C2CC2)c1.CC(C)OB1OC(C)(C)C(C)(C)O1.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccnc(C5CC5)c4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(I)cc3c2)c1C.Cc1c(C(=O)Cc2cnc3[nH]c(-c4ccnc(C5CC5)c4)cc3c2)nn(C(=O)OC(C)(C)C)c1C.Cc1c(C(=O)N(C(=O)OC(C)(C)C)c2cnc3c(c2)cc(B2OC(C)(C)C(C)(C)O2)n3C(=O)OC(C)(C)C)nn(C(=O)OC(C)(C)C)c1C.Cc1c(C(=O)N(C(=O)OC(C)(C)C)c2cnc3c(c2)cc(I)n3C(=O)OC(C)(C)C)nn(C(=O)OC(C)(C)C)c1C
InChIInChI=1S/C34H48BN5O9.C28H36IN5O7.C27H29N5O3.C22H21N5O.C14H13IN4O.C9H19BO3.C8H8BrN/c1-19-20(2)40(29(44)47-32(9,10)11)37-24(19)26(41)38(27(42)45-30(3,4)5)22-16-21-17-23(35-48-33(12,13)34(14,15)49-35)39(25(21)36-18-22)28(43)46-31(6,7)8;1-15-16(2)34(25(38)41-28(9,10)11)31-20(15)22(35)32(23(36)39-26(3,4)5)18-12-17-13-19(29)33(21(17)30-14-18)24(37)40-27(6,7)8;1-15-16(2)32(26(34)35-27(3,4)5)31-24(15)23(33)11-17-10-20-13-22(30-25(20)29-14-17)19-8-9-28-21(12-19)18-6-7-18;1-12-13(2)26-27-21(12)20(28)8-14-7-17-10-19(25-22(17)24-11-14)16-5-6-23-18(9-16)15-3-4-15;1-7-8(2)18-19-13(7)11(20)4-9-3-10-5-12(15)17-14(10)16-6-9;1-7(2)11-10-12-8(3,4)9(5,6)13-10;9-7-3-4-10-8(5-7)6-1-2-6/h16-18H,1-15H3;12-14H,1-11H3;8-10,12-14,18H,6-7,11H2,1-5H3,(H,29,30);5-7,9-11,15H,3-4,8H2,1-2H3,(H,24,25)(H,26,27);3,5-6H,4H2,1-2H3,(H,16,17)(H,18,19);7H,1-6H3;3-6H,1-2H2
InChIKeyFJBANIREUNVPKA-UHFFFAOYSA-N
XLogP30.35
TPSA593.25 Ų
H-Bond Donors5
H-Bond Acceptors42
Rotatable Bonds21
Heavy Atoms196
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002970.44
LogP ≤ 530.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze 4-bromo-2-cyclopropylpyridine;tert-butyl 3-[2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-4,5-dimethylpyrazole-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-cyclopropylpyridine;tert-butyl 3-[2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-4,5-dimethylpyrazole-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane?
The IUPAC name of 4-bromo-2-cyclopropylpyridine;tert-butyl 3-[2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-4,5-dimethylpyrazole-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane (CID 158047146) is 4-bromo-2-cyclopropylpyridine;tert-butyl 3-[2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-4,5-dimethylpyrazole-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane.
What is the SMILES notation for 4-bromo-2-cyclopropylpyridine;tert-butyl 3-[2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-4,5-dimethylpyrazole-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane?
The canonical SMILES for 4-bromo-2-cyclopropylpyridine;tert-butyl 3-[2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-4,5-dimethylpyrazole-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane is Brc1ccnc(C2CC2)c1.CC(C)OB1OC(C)(C)C(C)(C)O1.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(-c4ccnc(C5CC5)c4)cc3c2)c1C.Cc1[nH]nc(C(=O)Cc2cnc3[nH]c(I)cc3c2)c1C.Cc1c(C(=O)Cc2cnc3[nH]c(-c4ccnc(C5CC5)c4)cc3c2)nn(C(=O)OC(C)(C)C)c1C.Cc1c(C(=O)N(C(=O)OC(C)(C)C)c2cnc3c(c2)cc(B2OC(C)(C)C(C)(C)O2)n3C(=O)OC(C)(C)C)nn(C(=O)OC(C)(C)C)c1C.Cc1c(C(=O)N(C(=O)OC(C)(C)C)c2cnc3c(c2)cc(I)n3C(=O)OC(C)(C)C)nn(C(=O)OC(C)(C)C)c1C.
What is the InChIKey of 4-bromo-2-cyclopropylpyridine;tert-butyl 3-[2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-4,5-dimethylpyrazole-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane?
The InChIKey is FJBANIREUNVPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H48BN5O9.C28H36IN5O7.C27H29N5O3.C22H21N5O.C14H13IN4O.C9H19BO3.C8H8BrN/c1-19-20(2)40(29(44)47-32(9,10)11)37-24(19)26(41)38(27(42)45-30(3,4)5)22-16-21-17-23(35-48-33(12,13)34(14,15)49-35)39(25(21)36-18-22)28(43)46-31(6,7)8;1-15-16(2)34(25(38)41-28(9,10)11)31-20(15)22(35)32(23(36)39-26(3,4)5)18-12-17-13-19(29)33(21(17)30-14-18)24(37)40-27(6,7)8;1-15-16(2)32(26(34)35-27(3,4)5)31-24(15)23(33)11-17-10-20-13-22(30-25(20)29-14-17)19-8-9-28-21(12-19)18-6-7-18;1-12-13(2)26-27-21(12)20(28)8-14-7-17-10-19(25-22(17)24-11-14)16-5-6-23-18(9-16)15-3-4-15;1-7-8(2)18-19-13(7)11(20)4-9-3-10-5-12(15)17-14(10)16-6-9;1-7(2)11-10-12-8(3,4)9(5,6)13-10;9-7-3-4-10-8(5-7)6-1-2-6/h16-18H,1-15H3;12-14H,1-11H3;8-10,12-14,18H,6-7,11H2,1-5H3,(H,29,30);5-7,9-11,15H,3-4,8H2,1-2H3,(H,24,25)(H,26,27);3,5-6H,4H2,1-2H3,(H,16,17)(H,18,19);7H,1-6H3;3-6H,1-2H2.
What are the key properties of 4-bromo-2-cyclopropylpyridine;tert-butyl 3-[2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-4,5-dimethylpyrazole-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane?
4-bromo-2-cyclopropylpyridine;tert-butyl 3-[2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-4,5-dimethylpyrazole-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane has a molecular weight of 2970.44 g/mol, XLogP of 30.35, 21 rotatable bonds, 5 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-cyclopropylpyridine;tert-butyl 3-[2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]acetyl]-4,5-dimethylpyrazole-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-iodopyrrolo[2,3-b]pyridine-1-carboxylate;tert-butyl 5-[[4,5-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrazole-3-carbonyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;2-[2-(2-cyclopropyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-(4,5-dimethyl-1H-pyrazol-3-yl)ethanone;1-(4,5-dimethyl-1H-pyrazol-3-yl)-2-(2-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)ethanone;4,4,5,5-tetramethyl-2-propan-2-yloxy-1,3,2-dioxaborolane is sourced from PubChem (CID 158047146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).