N-[3-(4-fluorophenyl)-4-methyl-2-oxo-4H-pyrimidin-1-yl]-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]prop-2-enamide

C24H23FN6O3 — CID 66839240

IUPACN-[3-(4-fluorophenyl)-4-methyl-2-oxo-4H-pyrimidin-1-yl]-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]prop-2-enamide
SMILESCOc1cc(C=CC(=O)NN2C=CC(C)N(c3ccc(F)cc3)C2=O)cnc1-n1cnc(C)c1
InChIInChI=1S/C24H23FN6O3/c1-16-14-29(15-27-16)23-21(34-3)12-18(13-26-23)4-9-22(32)28-30-11-10-17(2)31(24(30)33)20-7-5-19(25)6-8-20/h4-15,17H,1-3H3,(H,28,32)
InChIKeyYYULOTCZOTXFDP-UHFFFAOYSA-N
MW462.49 g/mol
LogP3.61
Rot. Bonds6

About N-[3-(4-fluorophenyl)-4-methyl-2-oxo-4H-pyrimidin-1-yl]-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]prop-2-enamide

N-[3-(4-fluorophenyl)-4-methyl-2-oxo-4H-pyrimidin-1-yl]-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]prop-2-enamide (PubChem CID 66839240) has the molecular formula C24H23FN6O3 and a molecular weight of 462.49 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-4-methyl-2-oxo-4H-pyrimidin-1-yl]-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-4-methyl-2-oxo-4H-pyrimidin-1-yl]-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]prop-2-enamide
PubChem CID66839240
Molecular FormulaC24H23FN6O3
Molecular Weight462.49 g/mol
Exact Mass462.18
IUPAC NameN-[3-(4-fluorophenyl)-4-methyl-2-oxo-4H-pyrimidin-1-yl]-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]prop-2-enamide
SMILESCOc1cc(C=CC(=O)NN2C=CC(C)N(c3ccc(F)cc3)C2=O)cnc1-n1cnc(C)c1
InChIInChI=1S/C24H23FN6O3/c1-16-14-29(15-27-16)23-21(34-3)12-18(13-26-23)4-9-22(32)28-30-11-10-17(2)31(24(30)33)20-7-5-19(25)6-8-20/h4-15,17H,1-3H3,(H,28,32)
InChIKeyYYULOTCZOTXFDP-UHFFFAOYSA-N
XLogP3.61
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[3-(4-fluorophenyl)-4-methyl-2-oxo-4H-pyrimidin-1-yl]-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]prop-2-enamide 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 N-[3-(4-fluorophenyl)-4-methyl-2-oxo-4H-pyrimidin-1-yl]-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]prop-2-enamide?
The IUPAC name of N-[3-(4-fluorophenyl)-4-methyl-2-oxo-4H-pyrimidin-1-yl]-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]prop-2-enamide (CID 66839240) is N-[3-(4-fluorophenyl)-4-methyl-2-oxo-4H-pyrimidin-1-yl]-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-4-methyl-2-oxo-4H-pyrimidin-1-yl]-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-4-methyl-2-oxo-4H-pyrimidin-1-yl]-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]prop-2-enamide is COc1cc(C=CC(=O)NN2C=CC(C)N(c3ccc(F)cc3)C2=O)cnc1-n1cnc(C)c1.
What is the InChIKey of N-[3-(4-fluorophenyl)-4-methyl-2-oxo-4H-pyrimidin-1-yl]-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]prop-2-enamide?
The InChIKey is YYULOTCZOTXFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O3/c1-16-14-29(15-27-16)23-21(34-3)12-18(13-26-23)4-9-22(32)28-30-11-10-17(2)31(24(30)33)20-7-5-19(25)6-8-20/h4-15,17H,1-3H3,(H,28,32).
What are the key properties of N-[3-(4-fluorophenyl)-4-methyl-2-oxo-4H-pyrimidin-1-yl]-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]prop-2-enamide?
N-[3-(4-fluorophenyl)-4-methyl-2-oxo-4H-pyrimidin-1-yl]-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]prop-2-enamide has a molecular weight of 462.49 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-4-methyl-2-oxo-4H-pyrimidin-1-yl]-3-[5-methoxy-6-(4-methylimidazol-1-yl)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 66839240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).