2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-(pyridin-2-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide

C26H23FN6O2 — CID 154674326

About 2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-(pyridin-2-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide

2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-(pyridin-2-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide (PubChem CID 154674326) has the molecular formula C26H23FN6O2 and a molecular weight of 470.51 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-(pyridin-2-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-(pyridin-2-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide
• PubChem CID: 154674326
• Molecular Formula: C26H23FN6O2
• Molecular Weight: 470.51 g/mol
• Exact Mass: 470.19
• IUPAC Name: 2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-(pyridin-2-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide
• SMILES: CN1CCc2[nH]c(-c3ccnc(NC(=O)Cc4ccc(F)cc4)c3)c(Nc3ccccn3)c2C1=O
• InChI: InChI=1S/C26H23FN6O2/c1-33-13-10-19-23(26(33)35)25(32-20-4-2-3-11-28-20)24(30-19)17-9-12-29-21(15-17)31-22(34)14-16-5-7-18(27)8-6-16/h2-9,11-12,15,30H,10,13-14H2,1H3,(H,28,32)(H,29,31,34)
• InChIKey: GUNUORYXEAKXIM-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 103.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.51
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-(pyridin-2-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide?

The IUPAC name of 2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-(pyridin-2-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide (CID 154674326) is 2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-(pyridin-2-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide.

What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-(pyridin-2-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide?

The canonical SMILES for 2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-(pyridin-2-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide is CN1CCc2[nH]c(-c3ccnc(NC(=O)Cc4ccc(F)cc4)c3)c(Nc3ccccn3)c2C1=O.

What is the InChIKey of 2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-(pyridin-2-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide?

The InChIKey is GUNUORYXEAKXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O2/c1-33-13-10-19-23(26(33)35)25(32-20-4-2-3-11-28-20)24(30-19)17-9-12-29-21(15-17)31-22(34)14-16-5-7-18(27)8-6-16/h2-9,11-12,15,30H,10,13-14H2,1H3,(H,28,32)(H,29,31,34).

What are the key properties of 2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-(pyridin-2-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide?

2-(4-fluorophenyl)-N-[4-[5-methyl-4-oxo-3-(pyridin-2-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide has a molecular weight of 470.51 g/mol, XLogP of 4.16, 6 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-[5-methyl-4-oxo-3-(pyridin-2-ylamino)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]-2-pyridinyl]acetamide is sourced from PubChem (CID 154674326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).