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

C107H100BClIN15O13S2 — CID 165071796

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

cyclopropanecarbonyl chloride;methyl 7-amino-2-[3-(3-methylpyrazol-1-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(3-methylpyrazol-1-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;3-methyl-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole (PubChem CID 165071796) has the molecular formula C107H100BClIN15O13S2 and a molecular weight of 2041.37 g/mol. Its IUPAC name is cyclopropanecarbonyl chloride;methyl 7-amino-2-[3-(3-methylpyrazol-1-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(3-methylpyrazol-1-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;3-methyl-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole.

Molecular Properties

• Compound Name: cyclopropanecarbonyl chloride;methyl 7-amino-2-[3-(3-methylpyrazol-1-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(3-methylpyrazol-1-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;3-methyl-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole
• PubChem CID: 165071796
• Molecular Formula: C107H100BClIN15O13S2
• Molecular Weight: 2041.37 g/mol
• Exact Mass: 2039.59
• IUPAC Name: cyclopropanecarbonyl chloride;methyl 7-amino-2-[3-(3-methylpyrazol-1-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(3-methylpyrazol-1-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;3-methyl-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole
• SMILES: COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(-c1cccc(-n3ccc(C)n3)c1)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(I)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N)c2[nH]c(-c3cccc(-n4ccc(C)n4)c3)cc12.Cc1ccn(-c2cccc(B3OC(C)(C)C(C)(C)O3)c2)n1.O=C(Cl)C1CC1
• InChI: InChI=1S/C39H33N5O4S.C29H24IN3O4S.C19H17N5O2.C16H21BN2O2.C4H5ClO/c1-28-21-22-43(41-28)32-18-12-17-31(23-32)36-24-34-35(39(45)48-2)25-40-38(37(34)44(36)49(46,47)33-19-10-5-11-20-33)42(26-29-13-6-3-7-14-29)27-30-15-8-4-9-16-30;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;1-11-6-7-24(23-11)13-5-3-4-12(8-13)16-9-14-15(19(25)26-2)10-21-18(20)17(14)22-16;1-12-9-10-19(18-12)14-8-6-7-13(11-14)17-20-15(2,3)16(4,5)21-17;5-4(6)3-1-2-3/h3-25H,26-27H2,1-2H3;2-18H,19-20H2,1H3;3-10,22H,1-2H3,(H2,20,21);6-11H,1-5H3;3H,1-2H2
• InChIKey: SWSCFXLKMIJCEU-UHFFFAOYSA-N
• XLogP: 20.03
• TPSA: 332.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 27
• Rotatable Bonds: 24
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2041.37
LogP ≤ 5	20.03
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	27

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;methyl 7-amino-2-[3-(3-methylpyrazol-1-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(3-methylpyrazol-1-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;3-methyl-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole?

The IUPAC name of cyclopropanecarbonyl chloride;methyl 7-amino-2-[3-(3-methylpyrazol-1-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(3-methylpyrazol-1-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;3-methyl-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole (CID 165071796) is cyclopropanecarbonyl chloride;methyl 7-amino-2-[3-(3-methylpyrazol-1-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(3-methylpyrazol-1-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;3-methyl-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole.

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

The canonical SMILES for cyclopropanecarbonyl chloride;methyl 7-amino-2-[3-(3-methylpyrazol-1-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(3-methylpyrazol-1-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;3-methyl-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole is COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(-c1cccc(-n3ccc(C)n3)c1)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(I)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N)c2[nH]c(-c3cccc(-n4ccc(C)n4)c3)cc12.Cc1ccn(-c2cccc(B3OC(C)(C)C(C)(C)O3)c2)n1.O=C(Cl)C1CC1.

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

The InChIKey is SWSCFXLKMIJCEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H33N5O4S.C29H24IN3O4S.C19H17N5O2.C16H21BN2O2.C4H5ClO/c1-28-21-22-43(41-28)32-18-12-17-31(23-32)36-24-34-35(39(45)48-2)25-40-38(37(34)44(36)49(46,47)33-19-10-5-11-20-33)42(26-29-13-6-3-7-14-29)27-30-15-8-4-9-16-30;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;1-11-6-7-24(23-11)13-5-3-4-12(8-13)16-9-14-15(19(25)26-2)10-21-18(20)17(14)22-16;1-12-9-10-19(18-12)14-8-6-7-13(11-14)17-20-15(2,3)16(4,5)21-17;5-4(6)3-1-2-3/h3-25H,26-27H2,1-2H3;2-18H,19-20H2,1H3;3-10,22H,1-2H3,(H2,20,21);6-11H,1-5H3;3H,1-2H2.

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

cyclopropanecarbonyl chloride;methyl 7-amino-2-[3-(3-methylpyrazol-1-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(3-methylpyrazol-1-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;3-methyl-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole has a molecular weight of 2041.37 g/mol, XLogP of 20.03, 24 rotatable bonds, 2 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropanecarbonyl chloride;methyl 7-amino-2-[3-(3-methylpyrazol-1-yl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[3-(3-methylpyrazol-1-yl)phenyl]pyrrolo[2,3-c]pyridine-4-carboxylate;3-methyl-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrazole is sourced from PubChem (CID 165071796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).