1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide;1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;2-(dimethylamino)ethyl 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;2-(dimethylamino)ethyl 1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate

C133H113Cl3F5N25O17 — CID 91138233

About 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide;1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;2-(dimethylamino)ethyl 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;2-(dimethylamino)ethyl 1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate

1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide;1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;2-(dimethylamino)ethyl 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;2-(dimethylamino)ethyl 1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate (PubChem CID 91138233) has the molecular formula C133H113Cl3F5N25O17 and a molecular weight of 2534.87 g/mol. Its IUPAC name is 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide;1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;2-(dimethylamino)ethyl 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;2-(dimethylamino)ethyl 1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide;1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;2-(dimethylamino)ethyl 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;2-(dimethylamino)ethyl 1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate
• PubChem CID: 91138233
• Molecular Formula: C133H113Cl3F5N25O17
• Molecular Weight: 2534.87 g/mol
• Exact Mass: 2531.77
• IUPAC Name: 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide;1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;2-(dimethylamino)ethyl 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;2-(dimethylamino)ethyl 1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate
• SMILES: CCNC(=O)c1c(-c2ccc[nH]c2=O)c2nc(C)c(F)cc2n1Cc1cc2ccc(OC)cc2nc1Cl.COc1ccc2cc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4nc(C)c(F)cc43)c(Cl)nc2c1.COc1ccc2cc(Cn3c(C(=O)OCCN(C)C)c(-c4ccc[nH]c4=O)c4nc(C)c(F)cc43)c(Cl)nc2c1.Cc1nc2c(-c3ccc[nH]c3=O)c(C(=O)O)n(Cc3cc(N)nc4ccccc34)c2cc1F.Cc1nc2c(-c3ccc[nH]c3=O)c(C(=O)OCCN(C)C)n(Cc3cc(N)nc4ccccc34)c2cc1F
• InChI: InChI=1S/C29H27ClFN5O4.C28H27FN6O3.C27H23ClFN5O3.C25H18ClFN4O4.C24H18FN5O3/c1-16-21(31)14-23-25(33-16)24(20-6-5-9-32-28(20)37)26(29(38)40-11-10-35(2)3)36(23)15-18-12-17-7-8-19(39-4)13-22(17)34-27(18)30;1-16-20(29)14-22-25(32-16)24(19-8-6-10-31-27(19)36)26(28(37)38-12-11-34(2)3)35(22)15-17-13-23(30)33-21-9-5-4-7-18(17)21;1-4-30-27(36)24-22(18-6-5-9-31-26(18)35)23-21(12-19(29)14(2)32-23)34(24)13-16-10-15-7-8-17(37-3)11-20(15)33-25(16)28;1-12-17(27)10-19-21(29-12)20(16-4-3-7-28-24(16)32)22(25(33)34)31(19)11-14-8-13-5-6-15(35-2)9-18(13)30-23(14)26;1-12-16(25)10-18-21(28-12)20(15-6-4-8-27-23(15)31)22(24(32)33)30(18)11-13-9-19(26)29-17-7-3-2-5-14(13)17/h5-9,12-14H,10-11,15H2,1-4H3,(H,32,37);4-10,13-14H,11-12,15H2,1-3H3,(H2,30,33)(H,31,36);5-12H,4,13H2,1-3H3,(H,30,36)(H,31,35);3-10H,11H2,1-2H3,(H,28,32)(H,33,34);2-10H,11H2,1H3,(H2,26,29)(H,27,31)(H,32,33)
• InChIKey: JIZMEXMPSPIYNU-UHFFFAOYSA-N
• XLogP: 21.91
• TPSA: 560.36 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 34
• Rotatable Bonds: 30
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2534.87
LogP ≤ 5	21.91
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide;1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;2-(dimethylamino)ethyl 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;2-(dimethylamino)ethyl 1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate?

The IUPAC name of 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide;1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;2-(dimethylamino)ethyl 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;2-(dimethylamino)ethyl 1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate (CID 91138233) is 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide;1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;2-(dimethylamino)ethyl 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;2-(dimethylamino)ethyl 1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate.

What is the SMILES notation for 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide;1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;2-(dimethylamino)ethyl 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;2-(dimethylamino)ethyl 1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate?

The canonical SMILES for 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide;1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;2-(dimethylamino)ethyl 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;2-(dimethylamino)ethyl 1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate is CCNC(=O)c1c(-c2ccc[nH]c2=O)c2nc(C)c(F)cc2n1Cc1cc2ccc(OC)cc2nc1Cl.COc1ccc2cc(Cn3c(C(=O)O)c(-c4ccc[nH]c4=O)c4nc(C)c(F)cc43)c(Cl)nc2c1.COc1ccc2cc(Cn3c(C(=O)OCCN(C)C)c(-c4ccc[nH]c4=O)c4nc(C)c(F)cc43)c(Cl)nc2c1.Cc1nc2c(-c3ccc[nH]c3=O)c(C(=O)O)n(Cc3cc(N)nc4ccccc34)c2cc1F.Cc1nc2c(-c3ccc[nH]c3=O)c(C(=O)OCCN(C)C)n(Cc3cc(N)nc4ccccc34)c2cc1F.

What is the InChIKey of 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide;1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;2-(dimethylamino)ethyl 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;2-(dimethylamino)ethyl 1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate?

The InChIKey is JIZMEXMPSPIYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClFN5O4.C28H27FN6O3.C27H23ClFN5O3.C25H18ClFN4O4.C24H18FN5O3/c1-16-21(31)14-23-25(33-16)24(20-6-5-9-32-28(20)37)26(29(38)40-11-10-35(2)3)36(23)15-18-12-17-7-8-19(39-4)13-22(17)34-27(18)30;1-16-20(29)14-22-25(32-16)24(19-8-6-10-31-27(19)36)26(28(37)38-12-11-34(2)3)35(22)15-17-13-23(30)33-21-9-5-4-7-18(17)21;1-4-30-27(36)24-22(18-6-5-9-31-26(18)35)23-21(12-19(29)14(2)32-23)34(24)13-16-10-15-7-8-17(37-3)11-20(15)33-25(16)28;1-12-17(27)10-19-21(29-12)20(16-4-3-7-28-24(16)32)22(25(33)34)31(19)11-14-8-13-5-6-15(35-2)9-18(13)30-23(14)26;1-12-16(25)10-18-21(28-12)20(15-6-4-8-27-23(15)31)22(24(32)33)30(18)11-13-9-19(26)29-17-7-3-2-5-14(13)17/h5-9,12-14H,10-11,15H2,1-4H3,(H,32,37);4-10,13-14H,11-12,15H2,1-3H3,(H2,30,33)(H,31,36);5-12H,4,13H2,1-3H3,(H,30,36)(H,31,35);3-10H,11H2,1-2H3,(H,28,32)(H,33,34);2-10H,11H2,1H3,(H2,26,29)(H,27,31)(H,32,33).

What are the key properties of 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide;1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;2-(dimethylamino)ethyl 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;2-(dimethylamino)ethyl 1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate?

1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide;1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;2-(dimethylamino)ethyl 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;2-(dimethylamino)ethyl 1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate has a molecular weight of 2534.87 g/mol, XLogP of 21.91, 30 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide;1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid;2-(dimethylamino)ethyl 1-[(2-aminoquinolin-4-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;2-(dimethylamino)ethyl 1-[(2-chloro-7-methoxyquinolin-3-yl)methyl]-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate is sourced from PubChem (CID 91138233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).