1-benzyl-3-(2-fluorophenyl)-5-methylpyrrolo[3,2-b]pyridine-2-carboxylic acid;N-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxamide;ethyl 1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid

C110H90F5N15O15 — CID 159135616

About 1-benzyl-3-(2-fluorophenyl)-5-methylpyrrolo[3,2-b]pyridine-2-carboxylic acid;N-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxamide;ethyl 1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid

1-benzyl-3-(2-fluorophenyl)-5-methylpyrrolo[3,2-b]pyridine-2-carboxylic acid;N-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxamide;ethyl 1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid (PubChem CID 159135616) has the molecular formula C110H90F5N15O15 and a molecular weight of 1957.01 g/mol. Its IUPAC name is 1-benzyl-3-(2-fluorophenyl)-5-methylpyrrolo[3,2-b]pyridine-2-carboxylic acid;N-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxamide;ethyl 1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 1-benzyl-3-(2-fluorophenyl)-5-methylpyrrolo[3,2-b]pyridine-2-carboxylic acid;N-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxamide;ethyl 1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid
• PubChem CID: 159135616
• Molecular Formula: C110H90F5N15O15
• Molecular Weight: 1957.01 g/mol
• Exact Mass: 1955.67
• IUPAC Name: 1-benzyl-3-(2-fluorophenyl)-5-methylpyrrolo[3,2-b]pyridine-2-carboxylic acid;N-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxamide;ethyl 1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid
• SMILES: CCNC(=O)c1c(-c2ccc[nH]c2=O)c2cc(OC)ncc2n1Cc1ccccc1F.CCOC(=O)c1c(-c2ccc[nH]c2=O)c2nc(C)ccc2n1Cc1ccccc1F.COc1cc2c(-c3ccc[nH]c3=O)c(C(=O)O)n(Cc3ccccc3F)c2cn1.Cc1ccc2c(n1)c(-c1ccc[nH]c1=O)c(C(=O)O)n2Cc1ccccc1F.Cc1ccc2c(n1)c(-c1ccccc1F)c(C(=O)O)n2Cc1ccccc1
• InChI: InChI=1S/C23H21FN4O3.C23H20FN3O3.C22H17FN2O2.C21H16FN3O4.C21H16FN3O3/c1-3-25-23(30)21-20(15-8-6-10-26-22(15)29)16-11-19(31-2)27-12-18(16)28(21)13-14-7-4-5-9-17(14)24;1-3-30-23(29)21-19(16-8-6-12-25-22(16)28)20-18(11-10-14(2)26-20)27(21)13-15-7-4-5-9-17(15)24;1-14-11-12-18-20(24-14)19(16-9-5-6-10-17(16)23)21(22(26)27)25(18)13-15-7-3-2-4-8-15;1-29-17-9-14-16(10-24-17)25(11-12-5-2-3-7-15(12)22)19(21(27)28)18(14)13-6-4-8-23-20(13)26;1-12-8-9-16-18(24-12)17(14-6-4-10-23-20(14)26)19(21(27)28)25(16)11-13-5-2-3-7-15(13)22/h4-12H,3,13H2,1-2H3,(H,25,30)(H,26,29);4-12H,3,13H2,1-2H3,(H,25,28);2-12H,13H2,1H3,(H,26,27);2-10H,11H2,1H3,(H,23,26)(H,27,28);2-10H,11H2,1H3,(H,23,26)(H,27,28)
• InChIKey: KHLJPYKBMYEYTL-UHFFFAOYSA-N
• XLogP: 19.17
• TPSA: 406.30 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 24
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1957.01
LogP ≤ 5	19.17
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(2-fluorophenyl)-5-methylpyrrolo[3,2-b]pyridine-2-carboxylic acid;N-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxamide;ethyl 1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid?

The IUPAC name of 1-benzyl-3-(2-fluorophenyl)-5-methylpyrrolo[3,2-b]pyridine-2-carboxylic acid;N-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxamide;ethyl 1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid (CID 159135616) is 1-benzyl-3-(2-fluorophenyl)-5-methylpyrrolo[3,2-b]pyridine-2-carboxylic acid;N-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxamide;ethyl 1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid.

What is the SMILES notation for 1-benzyl-3-(2-fluorophenyl)-5-methylpyrrolo[3,2-b]pyridine-2-carboxylic acid;N-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxamide;ethyl 1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid?

The canonical SMILES for 1-benzyl-3-(2-fluorophenyl)-5-methylpyrrolo[3,2-b]pyridine-2-carboxylic acid;N-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxamide;ethyl 1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid is CCNC(=O)c1c(-c2ccc[nH]c2=O)c2cc(OC)ncc2n1Cc1ccccc1F.CCOC(=O)c1c(-c2ccc[nH]c2=O)c2nc(C)ccc2n1Cc1ccccc1F.COc1cc2c(-c3ccc[nH]c3=O)c(C(=O)O)n(Cc3ccccc3F)c2cn1.Cc1ccc2c(n1)c(-c1ccc[nH]c1=O)c(C(=O)O)n2Cc1ccccc1F.Cc1ccc2c(n1)c(-c1ccccc1F)c(C(=O)O)n2Cc1ccccc1.

What is the InChIKey of 1-benzyl-3-(2-fluorophenyl)-5-methylpyrrolo[3,2-b]pyridine-2-carboxylic acid;N-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxamide;ethyl 1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid?

The InChIKey is KHLJPYKBMYEYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3.C23H20FN3O3.C22H17FN2O2.C21H16FN3O4.C21H16FN3O3/c1-3-25-23(30)21-20(15-8-6-10-26-22(15)29)16-11-19(31-2)27-12-18(16)28(21)13-14-7-4-5-9-17(14)24;1-3-30-23(29)21-19(16-8-6-12-25-22(16)28)20-18(11-10-14(2)26-20)27(21)13-15-7-4-5-9-17(15)24;1-14-11-12-18-20(24-14)19(16-9-5-6-10-17(16)23)21(22(26)27)25(18)13-15-7-3-2-4-8-15;1-29-17-9-14-16(10-24-17)25(11-12-5-2-3-7-15(12)22)19(21(27)28)18(14)13-6-4-8-23-20(13)26;1-12-8-9-16-18(24-12)17(14-6-4-10-23-20(14)26)19(21(27)28)25(16)11-13-5-2-3-7-15(13)22/h4-12H,3,13H2,1-2H3,(H,25,30)(H,26,29);4-12H,3,13H2,1-2H3,(H,25,28);2-12H,13H2,1H3,(H,26,27);2-10H,11H2,1H3,(H,23,26)(H,27,28);2-10H,11H2,1H3,(H,23,26)(H,27,28).

What are the key properties of 1-benzyl-3-(2-fluorophenyl)-5-methylpyrrolo[3,2-b]pyridine-2-carboxylic acid;N-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxamide;ethyl 1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid?

1-benzyl-3-(2-fluorophenyl)-5-methylpyrrolo[3,2-b]pyridine-2-carboxylic acid;N-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxamide;ethyl 1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 1957.01 g/mol, XLogP of 19.17, 24 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-3-(2-fluorophenyl)-5-methylpyrrolo[3,2-b]pyridine-2-carboxylic acid;N-ethyl-1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxamide;ethyl 1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylate;1-[(2-fluorophenyl)methyl]-5-methoxy-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[2,3-c]pyridine-2-carboxylic acid;1-[(2-fluorophenyl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 159135616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).