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

C48H38F3N11O5 — CID 91255830

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

1-[(2-aminoquinolin-4-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide;6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid (PubChem CID 91255830) has the molecular formula C48H38F3N11O5 and a molecular weight of 905.90 g/mol. Its IUPAC name is 1-[(2-aminoquinolin-4-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide;6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: 1-[(2-aminoquinolin-4-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide;6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid
• PubChem CID: 91255830
• Molecular Formula: C48H38F3N11O5
• Molecular Weight: 905.90 g/mol
• Exact Mass: 905.30
• IUPAC Name: 1-[(2-aminoquinolin-4-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide;6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)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)c2nc(C)c(F)cc2n1Cc1cc(N)nc2ccccc12.Cc1nc2c(-c3ccc[nH]c3=O)c(C(=O)O)n(Cc3cc4cn[nH]c4cc3F)c2cc1F
• InChI: InChI=1S/C26H23FN6O2.C22H15F2N5O3/c1-3-29-26(35)24-22(17-8-6-10-30-25(17)34)23-20(12-18(27)14(2)31-23)33(24)13-15-11-21(28)32-19-9-5-4-7-16(15)19;1-10-14(23)7-17-19(27-10)18(13-3-2-4-25-21(13)30)20(22(31)32)29(17)9-12-5-11-8-26-28-16(11)6-15(12)24/h4-12H,3,13H2,1-2H3,(H2,28,32)(H,29,35)(H,30,34);2-8H,9H2,1H3,(H,25,30)(H,26,28)(H,31,32)
• InChIKey: BVEAYQVYZNOONR-UHFFFAOYSA-N
• XLogP: 7.37
• TPSA: 235.35 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	905.90
LogP ≤ 5	7.37
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 1-[(2-aminoquinolin-4-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide;6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid (CID 91255830) is 1-[(2-aminoquinolin-4-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide;6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)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-[(2-aminoquinolin-4-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide;6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid?

The canonical SMILES for 1-[(2-aminoquinolin-4-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide;6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)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)c2nc(C)c(F)cc2n1Cc1cc(N)nc2ccccc12.Cc1nc2c(-c3ccc[nH]c3=O)c(C(=O)O)n(Cc3cc4cn[nH]c4cc3F)c2cc1F.

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

The InChIKey is BVEAYQVYZNOONR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O2.C22H15F2N5O3/c1-3-29-26(35)24-22(17-8-6-10-30-25(17)34)23-20(12-18(27)14(2)31-23)33(24)13-15-11-21(28)32-19-9-5-4-7-16(15)19;1-10-14(23)7-17-19(27-10)18(13-3-2-4-25-21(13)30)20(22(31)32)29(17)9-12-5-11-8-26-28-16(11)6-15(12)24/h4-12H,3,13H2,1-2H3,(H2,28,32)(H,29,35)(H,30,34);2-8H,9H2,1H3,(H,25,30)(H,26,28)(H,31,32).

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

1-[(2-aminoquinolin-4-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide;6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid has a molecular weight of 905.90 g/mol, XLogP of 7.37, 9 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2-aminoquinolin-4-yl)methyl]-N-ethyl-6-fluoro-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxamide;6-fluoro-1-[(6-fluoro-1H-indazol-5-yl)methyl]-5-methyl-3-(2-oxo-1H-pyridin-3-yl)pyrrolo[3,2-b]pyridine-2-carboxylic acid is sourced from PubChem (CID 91255830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).