cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;tributyl-[2-(1-methylsulfonylcyclopropyl)phenyl]stannane

C130H140ClIN12O20S5Sn — CID 164963498

About cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;tributyl-[2-(1-methylsulfonylcyclopropyl)phenyl]stannane

cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;tributyl-[2-(1-methylsulfonylcyclopropyl)phenyl]stannane (PubChem CID 164963498) has the molecular formula C130H140ClIN12O20S5Sn and a molecular weight of 2632.02 g/mol. Its IUPAC name is cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;tributyl-[2-(1-methylsulfonylcyclopropyl)phenyl]stannane.

Molecular Properties

• Compound Name: cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;tributyl-[2-(1-methylsulfonylcyclopropyl)phenyl]stannane
• PubChem CID: 164963498
• Molecular Formula: C130H140ClIN12O20S5Sn
• Molecular Weight: 2632.02 g/mol
• Exact Mass: 2630.67
• IUPAC Name: cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;tributyl-[2-(1-methylsulfonylcyclopropyl)phenyl]stannane
• SMILES: CCCC[Sn](CCCC)(CCCC)c1ccccc1C1(S(C)(=O)=O)CC1.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3ccccc3C3(S(C)(=O)=O)CC3)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(I)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N)c2[nH]c(-c3ccccc3C3(S(C)(=O)=O)CC3)cc12.COC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccccc3C3(S(C)(=O)=O)CC3)cc12.O=C(Cl)C1CC1
• InChI: InChI=1S/C33H31N3O4S.C29H24IN3O4S.C23H23N3O5S.C19H19N3O4S.C10H11O2S.C4H5ClO.3C4H9.Sn/c1-40-32(37)27-20-34-31(36(21-23-11-5-3-6-12-23)22-24-13-7-4-8-14-24)30-26(27)19-29(35-30)25-15-9-10-16-28(25)33(17-18-33)41(2,38)39;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;1-31-22(28)16-12-24-20(26-21(27)13-7-8-13)19-15(16)11-18(25-19)14-5-3-4-6-17(14)23(9-10-23)32(2,29)30;1-26-18(23)13-10-21-17(20)16-12(13)9-15(22-16)11-5-3-4-6-14(11)19(7-8-19)27(2,24)25;1-13(11,12)10(7-8-10)9-5-3-2-4-6-9;5-4(6)3-1-2-3;3*1-3-4-2;/h3-16,19-20,35H,17-18,21-22H2,1-2H3;2-18H,19-20H2,1H3;3-6,11-13,25H,7-10H2,1-2H3,(H,24,26,27);3-6,9-10,22H,7-8H2,1-2H3,(H2,20,21);2-5H,7-8H2,1H3;3H,1-2H2;3*1,3-4H2,2H3
• InChIKey: CDSANQZBDCQOHY-UHFFFAOYSA-N
• XLogP: 25.10
• TPSA: 458.43 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 40
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2632.02
LogP ≤ 5	25.10
H-Bond Donors ≤ 5	5
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': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;tributyl-[2-(1-methylsulfonylcyclopropyl)phenyl]stannane?

The IUPAC name of cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;tributyl-[2-(1-methylsulfonylcyclopropyl)phenyl]stannane (CID 164963498) is cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;tributyl-[2-(1-methylsulfonylcyclopropyl)phenyl]stannane.

What is the SMILES notation for cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;tributyl-[2-(1-methylsulfonylcyclopropyl)phenyl]stannane?

The canonical SMILES for cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;tributyl-[2-(1-methylsulfonylcyclopropyl)phenyl]stannane is CCCC[Sn](CCCC)(CCCC)c1ccccc1C1(S(C)(=O)=O)CC1.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2[nH]c(-c3ccccc3C3(S(C)(=O)=O)CC3)cc12.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(I)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N)c2[nH]c(-c3ccccc3C3(S(C)(=O)=O)CC3)cc12.COC(=O)c1cnc(NC(=O)C2CC2)c2[nH]c(-c3ccccc3C3(S(C)(=O)=O)CC3)cc12.O=C(Cl)C1CC1.

What is the InChIKey of cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;tributyl-[2-(1-methylsulfonylcyclopropyl)phenyl]stannane?

The InChIKey is CDSANQZBDCQOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N3O4S.C29H24IN3O4S.C23H23N3O5S.C19H19N3O4S.C10H11O2S.C4H5ClO.3C4H9.Sn/c1-40-32(37)27-20-34-31(36(21-23-11-5-3-6-12-23)22-24-13-7-4-8-14-24)30-26(27)19-29(35-30)25-15-9-10-16-28(25)33(17-18-33)41(2,38)39;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;1-31-22(28)16-12-24-20(26-21(27)13-7-8-13)19-15(16)11-18(25-19)14-5-3-4-6-17(14)23(9-10-23)32(2,29)30;1-26-18(23)13-10-21-17(20)16-12(13)9-15(22-16)11-5-3-4-6-14(11)19(7-8-19)27(2,24)25;1-13(11,12)10(7-8-10)9-5-3-2-4-6-9;5-4(6)3-1-2-3;3*1-3-4-2;/h3-16,19-20,35H,17-18,21-22H2,1-2H3;2-18H,19-20H2,1H3;3-6,11-13,25H,7-10H2,1-2H3,(H,24,26,27);3-6,9-10,22H,7-8H2,1-2H3,(H2,20,21);2-5H,7-8H2,1H3;3H,1-2H2;3*1,3-4H2,2H3;.

What are the key properties of cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;tributyl-[2-(1-methylsulfonylcyclopropyl)phenyl]stannane?

cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;tributyl-[2-(1-methylsulfonylcyclopropyl)phenyl]stannane has a molecular weight of 2632.02 g/mol, XLogP of 25.10, 40 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropanecarbonyl chloride;methyl 7-amino-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-iodopyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(cyclopropanecarbonylamino)-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 7-(dibenzylamino)-2-[2-(1-methylsulfonylcyclopropyl)phenyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;tributyl-[2-(1-methylsulfonylcyclopropyl)phenyl]stannane is sourced from PubChem (CID 164963498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).