methyl 3-[4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-5-methylmorpholin-3-yl]-2-methylpropanoate

C26H32F4N4O4 — CID 144973720

About methyl 3-[4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-5-methylmorpholin-3-yl]-2-methylpropanoate

methyl 3-[4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-5-methylmorpholin-3-yl]-2-methylpropanoate (PubChem CID 144973720) has the molecular formula C26H32F4N4O4 and a molecular weight of 540.56 g/mol. Its IUPAC name is methyl 3-[4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-5-methylmorpholin-3-yl]-2-methylpropanoate.

Molecular Properties

• Compound Name: methyl 3-[4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-5-methylmorpholin-3-yl]-2-methylpropanoate
• PubChem CID: 144973720
• Molecular Formula: C26H32F4N4O4
• Molecular Weight: 540.56 g/mol
• Exact Mass: 540.24
• IUPAC Name: methyl 3-[4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-5-methylmorpholin-3-yl]-2-methylpropanoate
• SMILES: COC(=O)C(C)CC1COCC(C)N1CC(=O)N1CCc2c(C(F)(F)F)nn(Cc3ccc(F)cc3)c2C1
• InChI: InChI=1S/C26H32F4N4O4/c1-16(25(36)37-3)10-20-15-38-14-17(2)33(20)13-23(35)32-9-8-21-22(12-32)34(31-24(21)26(28,29)30)11-18-4-6-19(27)7-5-18/h4-7,16-17,20H,8-15H2,1-3H3
• InChIKey: PLYWAHNLKDVKNS-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 76.90 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.56
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-5-methylmorpholin-3-yl]-2-methylpropanoate?

The IUPAC name of methyl 3-[4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-5-methylmorpholin-3-yl]-2-methylpropanoate (CID 144973720) is methyl 3-[4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-5-methylmorpholin-3-yl]-2-methylpropanoate.

What is the SMILES notation for methyl 3-[4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-5-methylmorpholin-3-yl]-2-methylpropanoate?

The canonical SMILES for methyl 3-[4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-5-methylmorpholin-3-yl]-2-methylpropanoate is COC(=O)C(C)CC1COCC(C)N1CC(=O)N1CCc2c(C(F)(F)F)nn(Cc3ccc(F)cc3)c2C1.

What is the InChIKey of methyl 3-[4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-5-methylmorpholin-3-yl]-2-methylpropanoate?

The InChIKey is PLYWAHNLKDVKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F4N4O4/c1-16(25(36)37-3)10-20-15-38-14-17(2)33(20)13-23(35)32-9-8-21-22(12-32)34(31-24(21)26(28,29)30)11-18-4-6-19(27)7-5-18/h4-7,16-17,20H,8-15H2,1-3H3.

What are the key properties of methyl 3-[4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-5-methylmorpholin-3-yl]-2-methylpropanoate?

methyl 3-[4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-5-methylmorpholin-3-yl]-2-methylpropanoate has a molecular weight of 540.56 g/mol, XLogP of 3.26, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[4-[2-[1-[(4-fluorophenyl)methyl]-3-(trifluoromethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]-2-oxoethyl]-5-methylmorpholin-3-yl]-2-methylpropanoate is sourced from PubChem (CID 144973720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).