1-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-3-(5-methyl-3,4-dihydropyrazol-2-yl)propan-1-one

C25H32N4O3 — CID 127250033

About 1-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-3-(5-methyl-3,4-dihydropyrazol-2-yl)propan-1-one

1-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-3-(5-methyl-3,4-dihydropyrazol-2-yl)propan-1-one (PubChem CID 127250033) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 1-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-3-(5-methyl-3,4-dihydropyrazol-2-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-3-(5-methyl-3,4-dihydropyrazol-2-yl)propan-1-one
• PubChem CID: 127250033
• Molecular Formula: C25H32N4O3
• Molecular Weight: 436.56 g/mol
• Exact Mass: 436.25
• IUPAC Name: 1-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-3-(5-methyl-3,4-dihydropyrazol-2-yl)propan-1-one
• SMILES: CCOc1ccc(Cc2cccc(C3CN(C(=O)CCN4CCC(C)=N4)CCO3)n2)cc1
• InChI: InChI=1S/C25H32N4O3/c1-3-31-22-9-7-20(8-10-22)17-21-5-4-6-23(26-21)24-18-28(15-16-32-24)25(30)12-14-29-13-11-19(2)27-29/h4-10,24H,3,11-18H2,1-2H3
• InChIKey: GYRZEGPRCAOLPA-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 67.26 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.56
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-3-(5-methyl-3,4-dihydropyrazol-2-yl)propan-1-one?

The IUPAC name of 1-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-3-(5-methyl-3,4-dihydropyrazol-2-yl)propan-1-one (CID 127250033) is 1-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-3-(5-methyl-3,4-dihydropyrazol-2-yl)propan-1-one.

What is the SMILES notation for 1-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-3-(5-methyl-3,4-dihydropyrazol-2-yl)propan-1-one?

The canonical SMILES for 1-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-3-(5-methyl-3,4-dihydropyrazol-2-yl)propan-1-one is CCOc1ccc(Cc2cccc(C3CN(C(=O)CCN4CCC(C)=N4)CCO3)n2)cc1.

What is the InChIKey of 1-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-3-(5-methyl-3,4-dihydropyrazol-2-yl)propan-1-one?

The InChIKey is GYRZEGPRCAOLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-3-31-22-9-7-20(8-10-22)17-21-5-4-6-23(26-21)24-18-28(15-16-32-24)25(30)12-14-29-13-11-19(2)27-29/h4-10,24H,3,11-18H2,1-2H3.

What are the key properties of 1-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-3-(5-methyl-3,4-dihydropyrazol-2-yl)propan-1-one?

1-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-3-(5-methyl-3,4-dihydropyrazol-2-yl)propan-1-one has a molecular weight of 436.56 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[6-[(4-ethoxyphenyl)methyl]-2-pyridinyl]morpholin-4-yl]-3-(5-methyl-3,4-dihydropyrazol-2-yl)propan-1-one is sourced from PubChem (CID 127250033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).