7-(cyclopropanecarbonylamino)-N-methyl-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;methyl 7-amino-2-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-phenylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;phenylboronic acid;iodide

C127H113BClI2N16O18S2- — CID 157054464

About 7-(cyclopropanecarbonylamino)-N-methyl-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;methyl 7-amino-2-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-phenylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;phenylboronic acid;iodide

7-(cyclopropanecarbonylamino)-N-methyl-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;methyl 7-amino-2-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-phenylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;phenylboronic acid;iodide (PubChem CID 157054464) has the molecular formula C127H113BClI2N16O18S2- and a molecular weight of 2515.60 g/mol. Its IUPAC name is 7-(cyclopropanecarbonylamino)-N-methyl-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;methyl 7-amino-2-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-phenylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;phenylboronic acid;iodide.

Molecular Properties

• Compound Name: 7-(cyclopropanecarbonylamino)-N-methyl-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;methyl 7-amino-2-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-phenylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;phenylboronic acid;iodide
• PubChem CID: 157054464
• Molecular Formula: C127H113BClI2N16O18S2-
• Molecular Weight: 2515.60 g/mol
• Exact Mass: 2513.57
• IUPAC Name: 7-(cyclopropanecarbonylamino)-N-methyl-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;methyl 7-amino-2-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-phenylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;phenylboronic acid;iodide
• SMILES: CNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccccc3)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(-c1ccccc1)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(I)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N)c2[nH]c(-c3ccccc3)cc12.COC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccccc3)cc12.O=C(Cl)C1CC1.OB(O)c1ccccc1.[I-]
• InChI: InChI=1S/C35H29N3O4S.C29H24IN3O4S.C19H18N4O2.C19H17N3O3.C15H13N3O2.C6H7BO2.C4H5ClO.HI/c1-42-35(39)31-23-36-34(37(24-26-14-6-2-7-15-26)25-27-16-8-3-9-17-27)33-30(31)22-32(28-18-10-4-11-19-28)38(33)43(40,41)29-20-12-5-13-21-29;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;1-20-19(25)14-10-21-17(23-18(24)12-7-8-12)16-13(14)9-15(22-16)11-5-3-2-4-6-11;1-25-19(24)14-10-20-17(22-18(23)12-7-8-12)16-13(14)9-15(21-16)11-5-3-2-4-6-11;1-20-15(19)11-8-17-14(16)13-10(11)7-12(18-13)9-5-3-2-4-6-9;8-7(9)6-4-2-1-3-5-6;5-4(6)3-1-2-3;/h2-23H,24-25H2,1H3;2-18H,19-20H2,1H3;2-6,9-10,12,22H,7-8H2,1H3,(H,20,25)(H,21,23,24);2-6,9-10,12,21H,7-8H2,1H3,(H,20,22,23);2-8,18H,1H3,(H2,16,17);1-5,8-9H;3H,1-2H2;1H/p-1
• InChIKey: AROSZEBQTZWIQL-UHFFFAOYSA-M
• XLogP: 19.24
• TPSA: 472.49 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 28
• Rotatable Bonds: 29
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2515.60
LogP ≤ 5	19.24
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	28

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 7-(cyclopropanecarbonylamino)-N-methyl-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;methyl 7-amino-2-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-phenylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;phenylboronic acid;iodide?

The IUPAC name of 7-(cyclopropanecarbonylamino)-N-methyl-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;methyl 7-amino-2-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-phenylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;phenylboronic acid;iodide (CID 157054464) is 7-(cyclopropanecarbonylamino)-N-methyl-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;methyl 7-amino-2-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-phenylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;phenylboronic acid;iodide.

What is the SMILES notation for 7-(cyclopropanecarbonylamino)-N-methyl-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;methyl 7-amino-2-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-phenylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;phenylboronic acid;iodide?

The canonical SMILES for 7-(cyclopropanecarbonylamino)-N-methyl-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;methyl 7-amino-2-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-phenylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;phenylboronic acid;iodide is CNC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccccc3)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(-c1ccccc1)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(I)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N)c2[nH]c(-c3ccccc3)cc12.COC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccccc3)cc12.O=C(Cl)C1CC1.OB(O)c1ccccc1.[I-].

What is the InChIKey of 7-(cyclopropanecarbonylamino)-N-methyl-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;methyl 7-amino-2-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-phenylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;phenylboronic acid;iodide?

The InChIKey is AROSZEBQTZWIQL-UHFFFAOYSA-M. The full InChI is InChI=1S/C35H29N3O4S.C29H24IN3O4S.C19H18N4O2.C19H17N3O3.C15H13N3O2.C6H7BO2.C4H5ClO.HI/c1-42-35(39)31-23-36-34(37(24-26-14-6-2-7-15-26)25-27-16-8-3-9-17-27)33-30(31)22-32(28-18-10-4-11-19-28)38(33)43(40,41)29-20-12-5-13-21-29;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;1-20-19(25)14-10-21-17(23-18(24)12-7-8-12)16-13(14)9-15(22-16)11-5-3-2-4-6-11;1-25-19(24)14-10-20-17(22-18(23)12-7-8-12)16-13(14)9-15(21-16)11-5-3-2-4-6-11;1-20-15(19)11-8-17-14(16)13-10(11)7-12(18-13)9-5-3-2-4-6-9;8-7(9)6-4-2-1-3-5-6;5-4(6)3-1-2-3;/h2-23H,24-25H2,1H3;2-18H,19-20H2,1H3;2-6,9-10,12,22H,7-8H2,1H3,(H,20,25)(H,21,23,24);2-6,9-10,12,21H,7-8H2,1H3,(H,20,22,23);2-8,18H,1H3,(H2,16,17);1-5,8-9H;3H,1-2H2;1H/p-1.

What are the key properties of 7-(cyclopropanecarbonylamino)-N-methyl-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;methyl 7-amino-2-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-phenylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;phenylboronic acid;iodide?

7-(cyclopropanecarbonylamino)-N-methyl-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;methyl 7-amino-2-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-phenylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;phenylboronic acid;iodide has a molecular weight of 2515.60 g/mol, XLogP of 19.24, 29 rotatable bonds, 9 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(cyclopropanecarbonylamino)-N-methyl-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide;cyclopropanecarbonyl chloride;methyl 7-amino-2-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-phenylpyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-phenyl-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;phenylboronic acid;iodide is sourced from PubChem (CID 157054464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).