4-(2-bromo-4-pyridinyl)-2-methyl-1,3-thiazole;cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate

C110H109BrClN15O11S5Sn — CID 165046720

About 4-(2-bromo-4-pyridinyl)-2-methyl-1,3-thiazole;cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate

4-(2-bromo-4-pyridinyl)-2-methyl-1,3-thiazole;cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate (PubChem CID 165046720) has the molecular formula C110H109BrClN15O11S5Sn and a molecular weight of 2211.58 g/mol. Its IUPAC name is 4-(2-bromo-4-pyridinyl)-2-methyl-1,3-thiazole;cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: 4-(2-bromo-4-pyridinyl)-2-methyl-1,3-thiazole;cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate
• PubChem CID: 165046720
• Molecular Formula: C110H109BrClN15O11S5Sn
• Molecular Weight: 2211.58 g/mol
• Exact Mass: 2209.49
• IUPAC Name: 4-(2-bromo-4-pyridinyl)-2-methyl-1,3-thiazole;cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate
• SMILES: CCCC[Sn](CCCC)(CCCC)c1cc2c(C(=O)OC)cnc(N(Cc3ccccc3)Cc3ccccc3)c2n1S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(-c1cc(-c3csc(C)n3)ccn1)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N)c2[nH]c(-c3cc(-c4csc(C)n4)ccn3)cc12.Cc1nc(-c2ccnc(Br)c2)cs1.O=C(Cl)C1CC1
• InChI: InChI=1S/C38H31N5O4S2.C29H24N3O4S.C18H15N5O2S.C9H7BrN2S.C4H5ClO.3C4H9.Sn/c1-26-41-34(25-48-26)29-18-19-39-33(20-29)35-21-31-32(38(44)47-2)22-40-37(36(31)43(35)49(45,46)30-16-10-5-11-17-30)42(23-27-12-6-3-7-13-27)24-28-14-8-4-9-15-28;1-36-29(33)26-19-30-28(27-25(26)17-18-32(27)37(34,35)24-15-9-4-10-16-24)31(20-22-11-5-2-6-12-22)21-23-13-7-3-8-14-23;1-9-22-15(8-26-9)10-3-4-20-13(5-10)14-6-11-12(18(24)25-2)7-21-17(19)16(11)23-14;1-6-12-8(5-13-6)7-2-3-11-9(10)4-7;5-4(6)3-1-2-3;3*1-3-4-2;/h3-22,25H,23-24H2,1-2H3;2-17,19H,20-21H2,1H3;3-8,23H,1-2H3,(H2,19,21);2-5H,1H3;3H,1-2H2;3*1,3-4H2,2H3
• InChIKey: PAFMWHMSWOERPO-UHFFFAOYSA-N
• XLogP: 24.95
• TPSA: 338.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 28
• Rotatable Bonds: 33
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2211.58
LogP ≤ 5	24.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4-pyridinyl)-2-methyl-1,3-thiazole;cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate?

The IUPAC name of 4-(2-bromo-4-pyridinyl)-2-methyl-1,3-thiazole;cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate (CID 165046720) is 4-(2-bromo-4-pyridinyl)-2-methyl-1,3-thiazole;cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate.

What is the SMILES notation for 4-(2-bromo-4-pyridinyl)-2-methyl-1,3-thiazole;cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate?

The canonical SMILES for 4-(2-bromo-4-pyridinyl)-2-methyl-1,3-thiazole;cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate is CCCC[Sn](CCCC)(CCCC)c1cc2c(C(=O)OC)cnc(N(Cc3ccccc3)Cc3ccccc3)c2n1S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N(Cc2ccccc2)Cc2ccccc2)c2c1cc(-c1cc(-c3csc(C)n3)ccn1)n2S(=O)(=O)c1ccccc1.COC(=O)c1cnc(N)c2[nH]c(-c3cc(-c4csc(C)n4)ccn3)cc12.Cc1nc(-c2ccnc(Br)c2)cs1.O=C(Cl)C1CC1.

What is the InChIKey of 4-(2-bromo-4-pyridinyl)-2-methyl-1,3-thiazole;cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate?

The InChIKey is PAFMWHMSWOERPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H31N5O4S2.C29H24N3O4S.C18H15N5O2S.C9H7BrN2S.C4H5ClO.3C4H9.Sn/c1-26-41-34(25-48-26)29-18-19-39-33(20-29)35-21-31-32(38(44)47-2)22-40-37(36(31)43(35)49(45,46)30-16-10-5-11-17-30)42(23-27-12-6-3-7-13-27)24-28-14-8-4-9-15-28;1-36-29(33)26-19-30-28(27-25(26)17-18-32(27)37(34,35)24-15-9-4-10-16-24)31(20-22-11-5-2-6-12-22)21-23-13-7-3-8-14-23;1-9-22-15(8-26-9)10-3-4-20-13(5-10)14-6-11-12(18(24)25-2)7-21-17(19)16(11)23-14;1-6-12-8(5-13-6)7-2-3-11-9(10)4-7;5-4(6)3-1-2-3;3*1-3-4-2;/h3-22,25H,23-24H2,1-2H3;2-17,19H,20-21H2,1H3;3-8,23H,1-2H3,(H2,19,21);2-5H,1H3;3H,1-2H2;3*1,3-4H2,2H3;.

What are the key properties of 4-(2-bromo-4-pyridinyl)-2-methyl-1,3-thiazole;cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate?

4-(2-bromo-4-pyridinyl)-2-methyl-1,3-thiazole;cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate has a molecular weight of 2211.58 g/mol, XLogP of 24.95, 33 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-bromo-4-pyridinyl)-2-methyl-1,3-thiazole;cyclopropanecarbonyl chloride;methyl 7-amino-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-[4-(2-methyl-1,3-thiazol-4-yl)-2-pyridinyl]pyrrolo[2,3-c]pyridine-4-carboxylate;methyl 1-(benzenesulfonyl)-7-(dibenzylamino)-2-tributylstannylpyrrolo[2,3-c]pyridine-4-carboxylate is sourced from PubChem (CID 165046720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).