4-(3,5-difluorophenyl)-3-ethoxy-2-fluoro-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide

C24H21F3N4O3 — CID 165385217

About 4-(3,5-difluorophenyl)-3-ethoxy-2-fluoro-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide

4-(3,5-difluorophenyl)-3-ethoxy-2-fluoro-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide (PubChem CID 165385217) has the molecular formula C24H21F3N4O3 and a molecular weight of 470.45 g/mol. Its IUPAC name is 4-(3,5-difluorophenyl)-3-ethoxy-2-fluoro-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide.

Molecular Properties

• Compound Name: 4-(3,5-difluorophenyl)-3-ethoxy-2-fluoro-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide
• PubChem CID: 165385217
• Molecular Formula: C24H21F3N4O3
• Molecular Weight: 470.45 g/mol
• Exact Mass: 470.16
• IUPAC Name: 4-(3,5-difluorophenyl)-3-ethoxy-2-fluoro-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide
• SMILES: CCOc1c(-c2cc(F)cc(F)c2)ccc(C(=O)N(C)Cc2cnc(CO)c3cn[nH]c23)c1F
• InChI: InChI=1S/C24H21F3N4O3/c1-3-34-23-17(13-6-15(25)8-16(26)7-13)4-5-18(21(23)27)24(33)31(2)11-14-9-28-20(12-32)19-10-29-30-22(14)19/h4-10,32H,3,11-12H2,1-2H3,(H,29,30)
• InChIKey: HSNBDYVCRHLAPA-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 91.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.45
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenyl)-3-ethoxy-2-fluoro-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide?

The IUPAC name of 4-(3,5-difluorophenyl)-3-ethoxy-2-fluoro-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide (CID 165385217) is 4-(3,5-difluorophenyl)-3-ethoxy-2-fluoro-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide.

What is the SMILES notation for 4-(3,5-difluorophenyl)-3-ethoxy-2-fluoro-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide?

The canonical SMILES for 4-(3,5-difluorophenyl)-3-ethoxy-2-fluoro-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide is CCOc1c(-c2cc(F)cc(F)c2)ccc(C(=O)N(C)Cc2cnc(CO)c3cn[nH]c23)c1F.

What is the InChIKey of 4-(3,5-difluorophenyl)-3-ethoxy-2-fluoro-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide?

The InChIKey is HSNBDYVCRHLAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O3/c1-3-34-23-17(13-6-15(25)8-16(26)7-13)4-5-18(21(23)27)24(33)31(2)11-14-9-28-20(12-32)19-10-29-30-22(14)19/h4-10,32H,3,11-12H2,1-2H3,(H,29,30).

What are the key properties of 4-(3,5-difluorophenyl)-3-ethoxy-2-fluoro-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide?

4-(3,5-difluorophenyl)-3-ethoxy-2-fluoro-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide has a molecular weight of 470.45 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,5-difluorophenyl)-3-ethoxy-2-fluoro-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 165385217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).