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

C28H23FN4O3 — CID 162686978

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

2-(4-fluorophenyl)-N-[4-[3-(3-hydroxyphenyl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide (PubChem CID 162686978) has the molecular formula C28H23FN4O3 and a molecular weight of 482.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-[3-(3-hydroxyphenyl)-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-(3-hydroxyphenyl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide
• PubChem CID: 162686978
• Molecular Formula: C28H23FN4O3
• Molecular Weight: 482.52 g/mol
• Exact Mass: 482.18
• IUPAC Name: 2-(4-fluorophenyl)-N-[4-[3-(3-hydroxyphenyl)-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-c2cccc(O)c2)ccn1)c1ccc(F)cc1
• InChI: InChI=1S/C28H23FN4O3/c1-16(17-6-8-20(29)9-7-17)27(35)32-23-15-19(10-12-30-23)26-24(18-4-3-5-21(34)14-18)25-22(31-26)11-13-33(2)28(25)36/h3-16,31,34H,1-2H3,(H,30,32,35)
• InChIKey: DCGFWGFEATUMQK-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 100.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.52
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-[3-(3-hydroxyphenyl)-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-(3-hydroxyphenyl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide (CID 162686978) is 2-(4-fluorophenyl)-N-[4-[3-(3-hydroxyphenyl)-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-(3-hydroxyphenyl)-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-(3-hydroxyphenyl)-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-c2cccc(O)c2)ccn1)c1ccc(F)cc1.

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

The InChIKey is DCGFWGFEATUMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23FN4O3/c1-16(17-6-8-20(29)9-7-17)27(35)32-23-15-19(10-12-30-23)26-24(18-4-3-5-21(34)14-18)25-22(31-26)11-13-33(2)28(25)36/h3-16,31,34H,1-2H3,(H,30,32,35).

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

2-(4-fluorophenyl)-N-[4-[3-(3-hydroxyphenyl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide has a molecular weight of 482.52 g/mol, XLogP of 5.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-N-[4-[3-(3-hydroxyphenyl)-5-methyl-4-oxo-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]propanamide is sourced from PubChem (CID 162686978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).