5-[2-ethoxy-4-[methyl(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)carbamoyl]phenyl]-2-fluoro-N-methylbenzamide

C25H24FN5O3 — CID 165385024

About 5-[2-ethoxy-4-[methyl(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)carbamoyl]phenyl]-2-fluoro-N-methylbenzamide

5-[2-ethoxy-4-[methyl(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)carbamoyl]phenyl]-2-fluoro-N-methylbenzamide (PubChem CID 165385024) has the molecular formula C25H24FN5O3 and a molecular weight of 461.50 g/mol. Its IUPAC name is 5-[2-ethoxy-4-[methyl(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)carbamoyl]phenyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

• Compound Name: 5-[2-ethoxy-4-[methyl(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)carbamoyl]phenyl]-2-fluoro-N-methylbenzamide
• PubChem CID: 165385024
• Molecular Formula: C25H24FN5O3
• Molecular Weight: 461.50 g/mol
• Exact Mass: 461.19
• IUPAC Name: 5-[2-ethoxy-4-[methyl(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)carbamoyl]phenyl]-2-fluoro-N-methylbenzamide
• SMILES: CCOc1cc(C(=O)N(C)Cc2cncc3cn[nH]c23)ccc1-c1ccc(F)c(C(=O)NC)c1
• InChI: InChI=1S/C25H24FN5O3/c1-4-34-22-10-16(5-7-19(22)15-6-8-21(26)20(9-15)24(32)27-2)25(33)31(3)14-18-12-28-11-17-13-29-30-23(17)18/h5-13H,4,14H2,1-3H3,(H,27,32)(H,29,30)
• InChIKey: XRAHHWQYXFPDEI-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 100.21 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	461.50
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-[2-ethoxy-4-[methyl(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)carbamoyl]phenyl]-2-fluoro-N-methylbenzamide (CID 165385024) is 5-[2-ethoxy-4-[methyl(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)carbamoyl]phenyl]-2-fluoro-N-methylbenzamide.

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

The canonical SMILES for 5-[2-ethoxy-4-[methyl(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)carbamoyl]phenyl]-2-fluoro-N-methylbenzamide is CCOc1cc(C(=O)N(C)Cc2cncc3cn[nH]c23)ccc1-c1ccc(F)c(C(=O)NC)c1.

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

The InChIKey is XRAHHWQYXFPDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O3/c1-4-34-22-10-16(5-7-19(22)15-6-8-21(26)20(9-15)24(32)27-2)25(33)31(3)14-18-12-28-11-17-13-29-30-23(17)18/h5-13H,4,14H2,1-3H3,(H,27,32)(H,29,30).

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

5-[2-ethoxy-4-[methyl(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)carbamoyl]phenyl]-2-fluoro-N-methylbenzamide has a molecular weight of 461.50 g/mol, XLogP of 3.79, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-ethoxy-4-[methyl(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)carbamoyl]phenyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 165385024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).