2-(4-fluorophenyl)-N-[4-[3-(furan-2-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide

C26H21FN4O3 — CID 162687040

About 2-(4-fluorophenyl)-N-[4-[3-(furan-2-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide

2-(4-fluorophenyl)-N-[4-[3-(furan-2-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide (PubChem CID 162687040) has the molecular formula C26H21FN4O3 and a molecular weight of 456.48 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-[3-(furan-2-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-N-[4-[3-(furan-2-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide
• PubChem CID: 162687040
• Molecular Formula: C26H21FN4O3
• Molecular Weight: 456.48 g/mol
• Exact Mass: 456.16
• IUPAC Name: 2-(4-fluorophenyl)-N-[4-[3-(furan-2-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide
• SMILES: CC(C(=O)Nc1cc(-c2[nH]c3ccn(C)c(=O)c3c2-c2ccco2)ccn1)c1ccc(F)cc1
• InChI: InChI=1S/C26H21FN4O3/c1-15(16-5-7-18(27)8-6-16)25(32)30-21-14-17(9-11-28-21)24-23(20-4-3-13-34-20)22-19(29-24)10-12-31(2)26(22)33/h3-15,29H,1-2H3,(H,28,30,32)
• InChIKey: VACLTQRSBVUDMW-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 92.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.48
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-[3-(furan-2-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide?

The IUPAC name of 2-(4-fluorophenyl)-N-[4-[3-(furan-2-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide (CID 162687040) is 2-(4-fluorophenyl)-N-[4-[3-(furan-2-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide.

What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-[3-(furan-2-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide?

The canonical SMILES for 2-(4-fluorophenyl)-N-[4-[3-(furan-2-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide is CC(C(=O)Nc1cc(-c2[nH]c3ccn(C)c(=O)c3c2-c2ccco2)ccn1)c1ccc(F)cc1.

What is the InChIKey of 2-(4-fluorophenyl)-N-[4-[3-(furan-2-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide?

The InChIKey is VACLTQRSBVUDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN4O3/c1-15(16-5-7-18(27)8-6-16)25(32)30-21-14-17(9-11-28-21)24-23(20-4-3-13-34-20)22-19(29-24)10-12-31(2)26(22)33/h3-15,29H,1-2H3,(H,28,30,32).

What are the key properties of 2-(4-fluorophenyl)-N-[4-[3-(furan-2-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide?

2-(4-fluorophenyl)-N-[4-[3-(furan-2-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide has a molecular weight of 456.48 g/mol, XLogP of 5.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-N-[4-[3-(furan-2-yl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide is sourced from PubChem (CID 162687040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).