2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]-3-(2-methyl-1H-imidazol-5-yl)propanoic acid

C25H22FN5O4 — CID 67982474

IUPAC2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]-3-(2-methyl-1H-imidazol-5-yl)propanoic acid
SMILESCc1ncc(CC(NC(=O)Nc2cccc(-c3ccc(Oc4ccc(F)cc4)cc3)n2)C(=O)O)[nH]1
InChIInChI=1S/C25H22FN5O4/c1-15-27-14-18(28-15)13-22(24(32)33)30-25(34)31-23-4-2-3-21(29-23)16-5-9-19(10-6-16)35-20-11-7-17(26)8-12-20/h2-12,14,22H,13H2,1H3,(H,27,28)(H,32,33)(H2,29,30,31,34)
InChIKeyOTONWDIPHQICAW-UHFFFAOYSA-N
MW475.48 g/mol
LogP4.53
Rot. Bonds8

About 2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]-3-(2-methyl-1H-imidazol-5-yl)propanoic acid

2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]-3-(2-methyl-1H-imidazol-5-yl)propanoic acid (PubChem CID 67982474) has the molecular formula C25H22FN5O4 and a molecular weight of 475.48 g/mol. Its IUPAC name is 2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]-3-(2-methyl-1H-imidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]-3-(2-methyl-1H-imidazol-5-yl)propanoic acid
PubChem CID67982474
Molecular FormulaC25H22FN5O4
Molecular Weight475.48 g/mol
Exact Mass475.17
IUPAC Name2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]-3-(2-methyl-1H-imidazol-5-yl)propanoic acid
SMILESCc1ncc(CC(NC(=O)Nc2cccc(-c3ccc(Oc4ccc(F)cc4)cc3)n2)C(=O)O)[nH]1
InChIInChI=1S/C25H22FN5O4/c1-15-27-14-18(28-15)13-22(24(32)33)30-25(34)31-23-4-2-3-21(29-23)16-5-9-19(10-6-16)35-20-11-7-17(26)8-12-20/h2-12,14,22H,13H2,1H3,(H,27,28)(H,32,33)(H2,29,30,31,34)
InChIKeyOTONWDIPHQICAW-UHFFFAOYSA-N
XLogP4.53
TPSA129.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.48
LogP ≤ 54.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]-3-(2-methyl-1H-imidazol-5-yl)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-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]-3-(2-methyl-1H-imidazol-5-yl)propanoic acid?
The IUPAC name of 2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]-3-(2-methyl-1H-imidazol-5-yl)propanoic acid (CID 67982474) is 2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]-3-(2-methyl-1H-imidazol-5-yl)propanoic acid.
What is the SMILES notation for 2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]-3-(2-methyl-1H-imidazol-5-yl)propanoic acid?
The canonical SMILES for 2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]-3-(2-methyl-1H-imidazol-5-yl)propanoic acid is Cc1ncc(CC(NC(=O)Nc2cccc(-c3ccc(Oc4ccc(F)cc4)cc3)n2)C(=O)O)[nH]1.
What is the InChIKey of 2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]-3-(2-methyl-1H-imidazol-5-yl)propanoic acid?
The InChIKey is OTONWDIPHQICAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN5O4/c1-15-27-14-18(28-15)13-22(24(32)33)30-25(34)31-23-4-2-3-21(29-23)16-5-9-19(10-6-16)35-20-11-7-17(26)8-12-20/h2-12,14,22H,13H2,1H3,(H,27,28)(H,32,33)(H2,29,30,31,34).
What are the key properties of 2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]-3-(2-methyl-1H-imidazol-5-yl)propanoic acid?
2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]-3-(2-methyl-1H-imidazol-5-yl)propanoic acid has a molecular weight of 475.48 g/mol, XLogP of 4.53, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]-3-(2-methyl-1H-imidazol-5-yl)propanoic acid is sourced from PubChem (CID 67982474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).