methyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholine-4-carbonyl)benzoate

C24H24FN3O5 — CID 140615652

IUPACmethyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholine-4-carbonyl)benzoate
SMILESCOC(=O)c1cc(C(=O)N2CCOCC2)c(-c2cnn(C)c2)cc1OCc1ccc(F)cc1
InChIInChI=1S/C24H24FN3O5/c1-27-14-17(13-26-27)19-12-22(33-15-16-3-5-18(25)6-4-16)21(24(30)31-2)11-20(19)23(29)28-7-9-32-10-8-28/h3-6,11-14H,7-10,15H2,1-2H3
InChIKeyIJIZIAMIJXMPLQ-UHFFFAOYSA-N
MW453.47 g/mol
LogP3.06
Rot. Bonds6

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

methyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholine-4-carbonyl)benzoate (PubChem CID 140615652) has the molecular formula C24H24FN3O5 and a molecular weight of 453.47 g/mol. Its IUPAC name is methyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholine-4-carbonyl)benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholine-4-carbonyl)benzoate
PubChem CID140615652
Molecular FormulaC24H24FN3O5
Molecular Weight453.47 g/mol
Exact Mass453.17
IUPAC Namemethyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholine-4-carbonyl)benzoate
SMILESCOC(=O)c1cc(C(=O)N2CCOCC2)c(-c2cnn(C)c2)cc1OCc1ccc(F)cc1
InChIInChI=1S/C24H24FN3O5/c1-27-14-17(13-26-27)19-12-22(33-15-16-3-5-18(25)6-4-16)21(24(30)31-2)11-20(19)23(29)28-7-9-32-10-8-28/h3-6,11-14H,7-10,15H2,1-2H3
InChIKeyIJIZIAMIJXMPLQ-UHFFFAOYSA-N
XLogP3.06
TPSA82.89 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholine-4-carbonyl)benzoate?
The IUPAC name of methyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholine-4-carbonyl)benzoate (CID 140615652) is methyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholine-4-carbonyl)benzoate.
What is the SMILES notation for methyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholine-4-carbonyl)benzoate?
The canonical SMILES for methyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholine-4-carbonyl)benzoate is COC(=O)c1cc(C(=O)N2CCOCC2)c(-c2cnn(C)c2)cc1OCc1ccc(F)cc1.
What is the InChIKey of methyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholine-4-carbonyl)benzoate?
The InChIKey is IJIZIAMIJXMPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O5/c1-27-14-17(13-26-27)19-12-22(33-15-16-3-5-18(25)6-4-16)21(24(30)31-2)11-20(19)23(29)28-7-9-32-10-8-28/h3-6,11-14H,7-10,15H2,1-2H3.
What are the key properties of methyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholine-4-carbonyl)benzoate?
methyl 2-[(4-fluorophenyl)methoxy]-4-(1-methylpyrazol-4-yl)-5-(morpholine-4-carbonyl)benzoate has a molecular weight of 453.47 g/mol, XLogP of 3.06, 6 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-(morpholine-4-carbonyl)benzoate is sourced from PubChem (CID 140615652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).