2-methyl-2-[2-methyl-4-[[[1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carbonyl]amino]methyl]phenoxy]propanoic acid

C27H32N4O5 — CID 11237218

IUPAC2-methyl-2-[2-methyl-4-[[[1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carbonyl]amino]methyl]phenoxy]propanoic acid
SMILESCc1cc(CNC(=O)c2cc(-c3ccc(N4CCOCC4)cc3)n(C)n2)ccc1OC(C)(C)C(=O)O
InChIInChI=1S/C27H32N4O5/c1-18-15-19(5-10-24(18)36-27(2,3)26(33)34)17-28-25(32)22-16-23(30(4)29-22)20-6-8-21(9-7-20)31-11-13-35-14-12-31/h5-10,15-16H,11-14,17H2,1-4H3,(H,28,32)(H,33,34)
InChIKeyHQQOFEIOQWARCX-UHFFFAOYSA-N
MW492.58 g/mol
LogP3.40
Rot. Bonds8

About 2-methyl-2-[2-methyl-4-[[[1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carbonyl]amino]methyl]phenoxy]propanoic acid

2-methyl-2-[2-methyl-4-[[[1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carbonyl]amino]methyl]phenoxy]propanoic acid (PubChem CID 11237218) has the molecular formula C27H32N4O5 and a molecular weight of 492.58 g/mol. Its IUPAC name is 2-methyl-2-[2-methyl-4-[[[1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carbonyl]amino]methyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[2-methyl-4-[[[1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carbonyl]amino]methyl]phenoxy]propanoic acid
PubChem CID11237218
Molecular FormulaC27H32N4O5
Molecular Weight492.58 g/mol
Exact Mass492.24
IUPAC Name2-methyl-2-[2-methyl-4-[[[1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carbonyl]amino]methyl]phenoxy]propanoic acid
SMILESCc1cc(CNC(=O)c2cc(-c3ccc(N4CCOCC4)cc3)n(C)n2)ccc1OC(C)(C)C(=O)O
InChIInChI=1S/C27H32N4O5/c1-18-15-19(5-10-24(18)36-27(2,3)26(33)34)17-28-25(32)22-16-23(30(4)29-22)20-6-8-21(9-7-20)31-11-13-35-14-12-31/h5-10,15-16H,11-14,17H2,1-4H3,(H,28,32)(H,33,34)
InChIKeyHQQOFEIOQWARCX-UHFFFAOYSA-N
XLogP3.40
TPSA105.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-methyl-2-[2-methyl-4-[[[1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carbonyl]amino]methyl]phenoxy]propanoic acid 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 2-methyl-2-[2-methyl-4-[[[1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carbonyl]amino]methyl]phenoxy]propanoic acid?
The IUPAC name of 2-methyl-2-[2-methyl-4-[[[1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carbonyl]amino]methyl]phenoxy]propanoic acid (CID 11237218) is 2-methyl-2-[2-methyl-4-[[[1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carbonyl]amino]methyl]phenoxy]propanoic acid.
What is the SMILES notation for 2-methyl-2-[2-methyl-4-[[[1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carbonyl]amino]methyl]phenoxy]propanoic acid?
The canonical SMILES for 2-methyl-2-[2-methyl-4-[[[1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carbonyl]amino]methyl]phenoxy]propanoic acid is Cc1cc(CNC(=O)c2cc(-c3ccc(N4CCOCC4)cc3)n(C)n2)ccc1OC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[2-methyl-4-[[[1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carbonyl]amino]methyl]phenoxy]propanoic acid?
The InChIKey is HQQOFEIOQWARCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O5/c1-18-15-19(5-10-24(18)36-27(2,3)26(33)34)17-28-25(32)22-16-23(30(4)29-22)20-6-8-21(9-7-20)31-11-13-35-14-12-31/h5-10,15-16H,11-14,17H2,1-4H3,(H,28,32)(H,33,34).
What are the key properties of 2-methyl-2-[2-methyl-4-[[[1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carbonyl]amino]methyl]phenoxy]propanoic acid?
2-methyl-2-[2-methyl-4-[[[1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carbonyl]amino]methyl]phenoxy]propanoic acid has a molecular weight of 492.58 g/mol, XLogP of 3.40, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-methyl-4-[[[1-methyl-5-(4-morpholin-4-ylphenyl)pyrazole-3-carbonyl]amino]methyl]phenoxy]propanoic acid is sourced from PubChem (CID 11237218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).