[3-carboxy-1-(4-fluorophenyl)-2-(6-phenyl-4-propan-2-yl-3-pyridinyl)pent-1-en-3-yl]-methoxy-oxophosphanium

C27H28FNO4P+ — CID 67715277

IUPAC[3-carboxy-1-(4-fluorophenyl)-2-(6-phenyl-4-propan-2-yl-3-pyridinyl)pent-1-en-3-yl]-methoxy-oxophosphanium
SMILESCCC(C(=O)O)(C(=Cc1ccc(F)cc1)c1cnc(-c2ccccc2)cc1C(C)C)[P+](=O)OC
InChIInChI=1S/C27H27FNO4P/c1-5-27(26(30)31,34(32)33-4)24(15-19-11-13-21(28)14-12-19)23-17-29-25(16-22(23)18(2)3)20-9-7-6-8-10-20/h6-18H,5H2,1-4H3/p+1
InChIKeyGJACHIHNPHXSMT-UHFFFAOYSA-O
MW480.50 g/mol
LogP7.17
Rot. Bonds9

About [3-carboxy-1-(4-fluorophenyl)-2-(6-phenyl-4-propan-2-yl-3-pyridinyl)pent-1-en-3-yl]-methoxy-oxophosphanium

[3-carboxy-1-(4-fluorophenyl)-2-(6-phenyl-4-propan-2-yl-3-pyridinyl)pent-1-en-3-yl]-methoxy-oxophosphanium (PubChem CID 67715277) has the molecular formula C27H28FNO4P+ and a molecular weight of 480.50 g/mol. Its IUPAC name is [3-carboxy-1-(4-fluorophenyl)-2-(6-phenyl-4-propan-2-yl-3-pyridinyl)pent-1-en-3-yl]-methoxy-oxophosphanium.

Molecular Properties

Compound Name[3-carboxy-1-(4-fluorophenyl)-2-(6-phenyl-4-propan-2-yl-3-pyridinyl)pent-1-en-3-yl]-methoxy-oxophosphanium
PubChem CID67715277
Molecular FormulaC27H28FNO4P+
Molecular Weight480.50 g/mol
Exact Mass480.17
IUPAC Name[3-carboxy-1-(4-fluorophenyl)-2-(6-phenyl-4-propan-2-yl-3-pyridinyl)pent-1-en-3-yl]-methoxy-oxophosphanium
SMILESCCC(C(=O)O)(C(=Cc1ccc(F)cc1)c1cnc(-c2ccccc2)cc1C(C)C)[P+](=O)OC
InChIInChI=1S/C27H27FNO4P/c1-5-27(26(30)31,34(32)33-4)24(15-19-11-13-21(28)14-12-19)23-17-29-25(16-22(23)18(2)3)20-9-7-6-8-10-20/h6-18H,5H2,1-4H3/p+1
InChIKeyGJACHIHNPHXSMT-UHFFFAOYSA-O
XLogP7.17
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.50
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [3-carboxy-1-(4-fluorophenyl)-2-(6-phenyl-4-propan-2-yl-3-pyridinyl)pent-1-en-3-yl]-methoxy-oxophosphanium 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 [3-carboxy-1-(4-fluorophenyl)-2-(6-phenyl-4-propan-2-yl-3-pyridinyl)pent-1-en-3-yl]-methoxy-oxophosphanium?
The IUPAC name of [3-carboxy-1-(4-fluorophenyl)-2-(6-phenyl-4-propan-2-yl-3-pyridinyl)pent-1-en-3-yl]-methoxy-oxophosphanium (CID 67715277) is [3-carboxy-1-(4-fluorophenyl)-2-(6-phenyl-4-propan-2-yl-3-pyridinyl)pent-1-en-3-yl]-methoxy-oxophosphanium.
What is the SMILES notation for [3-carboxy-1-(4-fluorophenyl)-2-(6-phenyl-4-propan-2-yl-3-pyridinyl)pent-1-en-3-yl]-methoxy-oxophosphanium?
The canonical SMILES for [3-carboxy-1-(4-fluorophenyl)-2-(6-phenyl-4-propan-2-yl-3-pyridinyl)pent-1-en-3-yl]-methoxy-oxophosphanium is CCC(C(=O)O)(C(=Cc1ccc(F)cc1)c1cnc(-c2ccccc2)cc1C(C)C)[P+](=O)OC.
What is the InChIKey of [3-carboxy-1-(4-fluorophenyl)-2-(6-phenyl-4-propan-2-yl-3-pyridinyl)pent-1-en-3-yl]-methoxy-oxophosphanium?
The InChIKey is GJACHIHNPHXSMT-UHFFFAOYSA-O. The full InChI is InChI=1S/C27H27FNO4P/c1-5-27(26(30)31,34(32)33-4)24(15-19-11-13-21(28)14-12-19)23-17-29-25(16-22(23)18(2)3)20-9-7-6-8-10-20/h6-18H,5H2,1-4H3/p+1.
What are the key properties of [3-carboxy-1-(4-fluorophenyl)-2-(6-phenyl-4-propan-2-yl-3-pyridinyl)pent-1-en-3-yl]-methoxy-oxophosphanium?
[3-carboxy-1-(4-fluorophenyl)-2-(6-phenyl-4-propan-2-yl-3-pyridinyl)pent-1-en-3-yl]-methoxy-oxophosphanium has a molecular weight of 480.50 g/mol, XLogP of 7.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-carboxy-1-(4-fluorophenyl)-2-(6-phenyl-4-propan-2-yl-3-pyridinyl)pent-1-en-3-yl]-methoxy-oxophosphanium is sourced from PubChem (CID 67715277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).