3-(2-fluorophenoxy)-N-[1-[2-[methyl(2-pyridin-2-yloxyethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide

C22H24FN5O4 — CID 171654431

About 3-(2-fluorophenoxy)-N-[1-[2-[methyl(2-pyridin-2-yloxyethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide

3-(2-fluorophenoxy)-N-[1-[2-[methyl(2-pyridin-2-yloxyethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide (PubChem CID 171654431) has the molecular formula C22H24FN5O4 and a molecular weight of 441.46 g/mol. Its IUPAC name is 3-(2-fluorophenoxy)-N-[1-[2-[methyl(2-pyridin-2-yloxyethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide.

Molecular Properties

• Compound Name: 3-(2-fluorophenoxy)-N-[1-[2-[methyl(2-pyridin-2-yloxyethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide
• PubChem CID: 171654431
• Molecular Formula: C22H24FN5O4
• Molecular Weight: 441.46 g/mol
• Exact Mass: 441.18
• IUPAC Name: 3-(2-fluorophenoxy)-N-[1-[2-[methyl(2-pyridin-2-yloxyethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide
• SMILES: CN(CCOc1ccccn1)C(=O)Cn1cc(NC(=O)CCOc2ccccc2F)cn1
• InChI: InChI=1S/C22H24FN5O4/c1-27(11-13-32-21-8-4-5-10-24-21)22(30)16-28-15-17(14-25-28)26-20(29)9-12-31-19-7-3-2-6-18(19)23/h2-8,10,14-15H,9,11-13,16H2,1H3,(H,26,29)
• InChIKey: DWOLYFBFTWFUJU-UHFFFAOYSA-N
• XLogP: 2.36
• TPSA: 98.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.46
LogP ≤ 5	2.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenoxy)-N-[1-[2-[methyl(2-pyridin-2-yloxyethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide?

The IUPAC name of 3-(2-fluorophenoxy)-N-[1-[2-[methyl(2-pyridin-2-yloxyethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide (CID 171654431) is 3-(2-fluorophenoxy)-N-[1-[2-[methyl(2-pyridin-2-yloxyethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide.

What is the SMILES notation for 3-(2-fluorophenoxy)-N-[1-[2-[methyl(2-pyridin-2-yloxyethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide?

The canonical SMILES for 3-(2-fluorophenoxy)-N-[1-[2-[methyl(2-pyridin-2-yloxyethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide is CN(CCOc1ccccn1)C(=O)Cn1cc(NC(=O)CCOc2ccccc2F)cn1.

What is the InChIKey of 3-(2-fluorophenoxy)-N-[1-[2-[methyl(2-pyridin-2-yloxyethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide?

The InChIKey is DWOLYFBFTWFUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O4/c1-27(11-13-32-21-8-4-5-10-24-21)22(30)16-28-15-17(14-25-28)26-20(29)9-12-31-19-7-3-2-6-18(19)23/h2-8,10,14-15H,9,11-13,16H2,1H3,(H,26,29).

What are the key properties of 3-(2-fluorophenoxy)-N-[1-[2-[methyl(2-pyridin-2-yloxyethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide?

3-(2-fluorophenoxy)-N-[1-[2-[methyl(2-pyridin-2-yloxyethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide has a molecular weight of 441.46 g/mol, XLogP of 2.36, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-fluorophenoxy)-N-[1-[2-[methyl(2-pyridin-2-yloxyethyl)amino]-2-oxoethyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 171654431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).