cyclopropanecarbonyl chloride;2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;methyl 7-amino-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate

C115H117BClIN18O16S2 — CID 165024233

About cyclopropanecarbonyl chloride;2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;methyl 7-amino-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate

cyclopropanecarbonyl chloride;2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;methyl 7-amino-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 165024233) has the molecular formula C115H117BClIN18O16S2 and a molecular weight of 2244.61 g/mol. Its IUPAC name is cyclopropanecarbonyl chloride;2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;methyl 7-amino-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: cyclopropanecarbonyl chloride;2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;methyl 7-amino-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate
• PubChem CID: 165024233
• Molecular Formula: C115H117BClIN18O16S2
• Molecular Weight: 2244.61 g/mol
• Exact Mass: 2242.72
• IUPAC Name: cyclopropanecarbonyl chloride;2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;methyl 7-amino-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate
• SMILES: C.C.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(-c1cc(-c3ccn(C)n3)cnc1OC1CC1)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(I)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N)c2[nH]c(-c3cc(-c4ccn(C)n4)cnc3OC3CC3)cc12.Cn1ccc(-c2cnc(OC3CC3)c(B3OC(C)(C)C(C)(C)O3)c2)n1.O=C(Cl)C1CC1
• InChI: InChI=1S/C41H36N6O5S.C29H24IN3O4S.C21H20N6O3.C18H24BN3O3.C4H5ClO.2CH4/c1-45-21-20-36(44-45)30-22-34(40(43-24-30)52-31-18-19-31)37-23-33-35(41(48)51-2)25-42-39(38(33)47(37)53(49,50)32-16-10-5-11-17-32)46(26-28-12-6-3-7-13-28)27-29-14-8-4-9-15-29;1-37-29(34)25-18-31-28(32(19-21-11-5-2-6-12-21)20-22-13-7-3-8-14-22)27-24(25)17-26(30)33(27)38(35,36)23-15-9-4-10-16-23;1-27-6-5-16(26-27)11-7-14(20(24-9-11)30-12-3-4-12)17-8-13-15(21(28)29-2)10-23-19(22)18(13)25-17;1-17(2)18(3,4)25-19(24-17)14-10-12(15-8-9-22(5)21-15)11-20-16(14)23-13-6-7-13;5-4(6)3-1-2-3;;/h3-17,20-25,31H,18-19,26-27H2,1-2H3;2-18H,19-20H2,1H3;5-10,12,25H,3-4H2,1-2H3,(H2,22,23);8-11,13H,6-7H2,1-5H3;3H,1-2H2;2*1H4
• InChIKey: LQCHYMYOUXXHJK-UHFFFAOYSA-N
• XLogP: 20.83
• TPSA: 399.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 33
• Rotatable Bonds: 30
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2244.61
LogP ≤ 5	20.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclopropanecarbonyl chloride;2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;methyl 7-amino-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate?

The IUPAC name of cyclopropanecarbonyl chloride;2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;methyl 7-amino-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate (CID 165024233) is cyclopropanecarbonyl chloride;2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;methyl 7-amino-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate.

What is the SMILES notation for cyclopropanecarbonyl chloride;2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;methyl 7-amino-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate?

The canonical SMILES for cyclopropanecarbonyl chloride;2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;methyl 7-amino-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate is C.C.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(-c1cc(-c3ccn(C)n3)cnc1OC1CC1)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(I)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N)c2[nH]c(-c3cc(-c4ccn(C)n4)cnc3OC3CC3)cc12.Cn1ccc(-c2cnc(OC3CC3)c(B3OC(C)(C)C(C)(C)O3)c2)n1.O=C(Cl)C1CC1.

What is the InChIKey of cyclopropanecarbonyl chloride;2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;methyl 7-amino-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate?

The InChIKey is LQCHYMYOUXXHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H36N6O5S.C29H24IN3O4S.C21H20N6O3.C18H24BN3O3.C4H5ClO.2CH4/c1-45-21-20-36(44-45)30-22-34(40(43-24-30)52-31-18-19-31)37-23-33-35(41(48)51-2)25-42-39(38(33)47(37)53(49,50)32-16-10-5-11-17-32)46(26-28-12-6-3-7-13-28)27-29-14-8-4-9-15-29;1-37-29(34)25-18-31-28(32(19-21-11-5-2-6-12-21)20-22-13-7-3-8-14-22)27-24(25)17-26(30)33(27)38(35,36)23-15-9-4-10-16-23;1-27-6-5-16(26-27)11-7-14(20(24-9-11)30-12-3-4-12)17-8-13-15(21(28)29-2)10-23-19(22)18(13)25-17;1-17(2)18(3,4)25-19(24-17)14-10-12(15-8-9-22(5)21-15)11-20-16(14)23-13-6-7-13;5-4(6)3-1-2-3;;/h3-17,20-25,31H,18-19,26-27H2,1-2H3;2-18H,19-20H2,1H3;5-10,12,25H,3-4H2,1-2H3,(H2,22,23);8-11,13H,6-7H2,1-5H3;3H,1-2H2;2*1H4.

What are the key properties of cyclopropanecarbonyl chloride;2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;methyl 7-amino-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate?

cyclopropanecarbonyl chloride;2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;methyl 7-amino-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 2244.61 g/mol, XLogP of 20.83, 30 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropanecarbonyl chloride;2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;methane;methyl 7-amino-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-2-[2-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-3-pyridinyl]-7-(dibenzylamino)pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 165024233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).