(2S)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-(1H-imidazol-5-yl)-2-[(2-methoxyacetyl)amino]propanamide

C26H24FN5O4 — CID 57405058

IUPAC(2S)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-(1H-imidazol-5-yl)-2-[(2-methoxyacetyl)amino]propanamide
SMILESCOCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C26H24FN5O4/c1-35-15-25(33)31-23(13-19-14-28-16-29-19)26(34)32-24-4-2-3-22(30-24)17-5-9-20(10-6-17)36-21-11-7-18(27)8-12-21/h2-12,14,16,23H,13,15H2,1H3,(H,28,29)(H,31,33)(H,30,32,34)/t23-/m0/s1
InChIKeyQXNQKRXJPBHQMJ-QHCPKHFHSA-N
MW489.51 g/mol
LogP3.72
Rot. Bonds10

About (2S)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-(1H-imidazol-5-yl)-2-[(2-methoxyacetyl)amino]propanamide

(2S)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-(1H-imidazol-5-yl)-2-[(2-methoxyacetyl)amino]propanamide (PubChem CID 57405058) has the molecular formula C26H24FN5O4 and a molecular weight of 489.51 g/mol. Its IUPAC name is (2S)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-(1H-imidazol-5-yl)-2-[(2-methoxyacetyl)amino]propanamide.

Molecular Properties

Compound Name(2S)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-(1H-imidazol-5-yl)-2-[(2-methoxyacetyl)amino]propanamide
PubChem CID57405058
Molecular FormulaC26H24FN5O4
Molecular Weight489.51 g/mol
Exact Mass489.18
IUPAC Name(2S)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-(1H-imidazol-5-yl)-2-[(2-methoxyacetyl)amino]propanamide
SMILESCOCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C26H24FN5O4/c1-35-15-25(33)31-23(13-19-14-28-16-29-19)26(34)32-24-4-2-3-22(30-24)17-5-9-20(10-6-17)36-21-11-7-18(27)8-12-21/h2-12,14,16,23H,13,15H2,1H3,(H,28,29)(H,31,33)(H,30,32,34)/t23-/m0/s1
InChIKeyQXNQKRXJPBHQMJ-QHCPKHFHSA-N
XLogP3.72
TPSA118.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.51
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-(1H-imidazol-5-yl)-2-[(2-methoxyacetyl)amino]propanamide 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 (2S)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-(1H-imidazol-5-yl)-2-[(2-methoxyacetyl)amino]propanamide?
The IUPAC name of (2S)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-(1H-imidazol-5-yl)-2-[(2-methoxyacetyl)amino]propanamide (CID 57405058) is (2S)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-(1H-imidazol-5-yl)-2-[(2-methoxyacetyl)amino]propanamide.
What is the SMILES notation for (2S)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-(1H-imidazol-5-yl)-2-[(2-methoxyacetyl)amino]propanamide?
The canonical SMILES for (2S)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-(1H-imidazol-5-yl)-2-[(2-methoxyacetyl)amino]propanamide is COCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)Nc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of (2S)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-(1H-imidazol-5-yl)-2-[(2-methoxyacetyl)amino]propanamide?
The InChIKey is QXNQKRXJPBHQMJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H24FN5O4/c1-35-15-25(33)31-23(13-19-14-28-16-29-19)26(34)32-24-4-2-3-22(30-24)17-5-9-20(10-6-17)36-21-11-7-18(27)8-12-21/h2-12,14,16,23H,13,15H2,1H3,(H,28,29)(H,31,33)(H,30,32,34)/t23-/m0/s1.
What are the key properties of (2S)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-(1H-imidazol-5-yl)-2-[(2-methoxyacetyl)amino]propanamide?
(2S)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-(1H-imidazol-5-yl)-2-[(2-methoxyacetyl)amino]propanamide has a molecular weight of 489.51 g/mol, XLogP of 3.72, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]-3-(1H-imidazol-5-yl)-2-[(2-methoxyacetyl)amino]propanamide is sourced from PubChem (CID 57405058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).