methyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)benzoate

C24H26FN3O4 — CID 66611435

IUPACmethyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)benzoate
SMILESCOC(=O)c1cc(CN2CCOCC2)c(-c2cnn(C)c2)cc1OCc1ccc(F)cc1
InChIInChI=1S/C24H26FN3O4/c1-27-14-19(13-26-27)21-12-23(32-16-17-3-5-20(25)6-4-17)22(24(29)30-2)11-18(21)15-28-7-9-31-10-8-28/h3-6,11-14H,7-10,15-16H2,1-2H3
InChIKeyKHOOYUGPDZVVLX-UHFFFAOYSA-N
MW439.49 g/mol
LogP3.42
Rot. Bonds7

About methyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)benzoate

methyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)benzoate (PubChem CID 66611435) has the molecular formula C24H26FN3O4 and a molecular weight of 439.49 g/mol. Its IUPAC name is methyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)benzoate
PubChem CID66611435
Molecular FormulaC24H26FN3O4
Molecular Weight439.49 g/mol
Exact Mass439.19
IUPAC Namemethyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)benzoate
SMILESCOC(=O)c1cc(CN2CCOCC2)c(-c2cnn(C)c2)cc1OCc1ccc(F)cc1
InChIInChI=1S/C24H26FN3O4/c1-27-14-19(13-26-27)21-12-23(32-16-17-3-5-20(25)6-4-17)22(24(29)30-2)11-18(21)15-28-7-9-31-10-8-28/h3-6,11-14H,7-10,15-16H2,1-2H3
InChIKeyKHOOYUGPDZVVLX-UHFFFAOYSA-N
XLogP3.42
TPSA65.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)benzoate?
The IUPAC name of methyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)benzoate (CID 66611435) is methyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)benzoate.
What is the SMILES notation for methyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)benzoate?
The canonical SMILES for methyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)benzoate is COC(=O)c1cc(CN2CCOCC2)c(-c2cnn(C)c2)cc1OCc1ccc(F)cc1.
What is the InChIKey of methyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)benzoate?
The InChIKey is KHOOYUGPDZVVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O4/c1-27-14-19(13-26-27)21-12-23(32-16-17-3-5-20(25)6-4-17)22(24(29)30-2)11-18(21)15-28-7-9-31-10-8-28/h3-6,11-14H,7-10,15-16H2,1-2H3.
What are the key properties of methyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)benzoate?
methyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)benzoate has a molecular weight of 439.49 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholin-4-ylmethyl)benzoate is sourced from PubChem (CID 66611435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).