4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide

C25H23F2N5O2 — CID 118045706

About 4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide

4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide (PubChem CID 118045706) has the molecular formula C25H23F2N5O2 and a molecular weight of 463.49 g/mol. Its IUPAC name is 4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide.

Molecular Properties

• Compound Name: 4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide
• PubChem CID: 118045706
• Molecular Formula: C25H23F2N5O2
• Molecular Weight: 463.49 g/mol
• Exact Mass: 463.18
• IUPAC Name: 4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide
• SMILES: Cn1nccc1-c1cnc(N)c(-c2ccc(C(=O)NC(CO)c3cccc(CF)c3)c(F)c2)c1
• InChI: InChI=1S/C25H23F2N5O2/c1-32-23(7-8-30-32)18-10-20(24(28)29-13-18)16-5-6-19(21(27)11-16)25(34)31-22(14-33)17-4-2-3-15(9-17)12-26/h2-11,13,22,33H,12,14H2,1H3,(H2,28,29)(H,31,34)
• InChIKey: VOOLBGOOTBXGKI-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 106.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.49
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide?

The IUPAC name of 4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide (CID 118045706) is 4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide.

What is the SMILES notation for 4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide?

The canonical SMILES for 4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide is Cn1nccc1-c1cnc(N)c(-c2ccc(C(=O)NC(CO)c3cccc(CF)c3)c(F)c2)c1.

What is the InChIKey of 4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide?

The InChIKey is VOOLBGOOTBXGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O2/c1-32-23(7-8-30-32)18-10-20(24(28)29-13-18)16-5-6-19(21(27)11-16)25(34)31-22(14-33)17-4-2-3-15(9-17)12-26/h2-11,13,22,33H,12,14H2,1H3,(H2,28,29)(H,31,34).

What are the key properties of 4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide?

4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide has a molecular weight of 463.49 g/mol, XLogP of 3.80, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluoro-N-[1-[3-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide is sourced from PubChem (CID 118045706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).