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

C26H23FN6O2 — CID 59490936

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

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 (PubChem CID 59490936) has the molecular formula C26H23FN6O2 and a molecular weight of 470.51 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.

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
• PubChem CID: 59490936
• Molecular Formula: C26H23FN6O2
• Molecular Weight: 470.51 g/mol
• Exact Mass: 470.19
• 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
• SMILES: CCNC(=O)c1c(-c2ccc[nH]c2=O)c2nc(C)c(F)cc2n1Cc1cc(N)nc2ccccc12
• InChI: InChI=1S/C26H23FN6O2/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/h4-12H,3,13H2,1-2H3,(H2,28,32)(H,29,35)(H,30,34)
• InChIKey: YFTUMZMWPVLPDM-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 118.69 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.51
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

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?

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 (CID 59490936) 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.

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?

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 is CCNC(=O)c1c(-c2ccc[nH]c2=O)c2nc(C)c(F)cc2n1Cc1cc(N)nc2ccccc12.

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?

The InChIKey is YFTUMZMWPVLPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O2/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/h4-12H,3,13H2,1-2H3,(H2,28,32)(H,29,35)(H,30,34).

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?

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 has a molecular weight of 470.51 g/mol, XLogP of 3.77, 5 rotatable bonds, 3 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 59490936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).