3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfonyl-6-methylpyrimidin-4-yl]-1-[[2-(2-hydroxyethyl)-4-pyridinyl]methyl]pyridin-2-one

C34H32F2N4O5S — CID 138651419

IUPAC3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfonyl-6-methylpyrimidin-4-yl]-1-[[2-(2-hydroxyethyl)-4-pyridinyl]methyl]pyridin-2-one
SMILESCc1cc(-c2cc(F)c(=O)n(Cc3ccnc(CCO)c3)c2)nc(S(=O)(=O)CCC(OCc2ccccc2F)c2ccccc2)n1
InChIInChI=1S/C34H32F2N4O5S/c1-23-17-31(27-19-30(36)33(42)40(21-27)20-24-11-14-37-28(18-24)12-15-41)39-34(38-23)46(43,44)16-13-32(25-7-3-2-4-8-25)45-22-26-9-5-6-10-29(26)35/h2-11,14,17-19,21,32,41H,12-13,15-16,20,22H2,1H3
InChIKeyMUOOWGOMTUHVGI-UHFFFAOYSA-N
MW646.72 g/mol
LogP4.99
Rot. Bonds13

About 3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfonyl-6-methylpyrimidin-4-yl]-1-[[2-(2-hydroxyethyl)-4-pyridinyl]methyl]pyridin-2-one

3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfonyl-6-methylpyrimidin-4-yl]-1-[[2-(2-hydroxyethyl)-4-pyridinyl]methyl]pyridin-2-one (PubChem CID 138651419) has the molecular formula C34H32F2N4O5S and a molecular weight of 646.72 g/mol. Its IUPAC name is 3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfonyl-6-methylpyrimidin-4-yl]-1-[[2-(2-hydroxyethyl)-4-pyridinyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfonyl-6-methylpyrimidin-4-yl]-1-[[2-(2-hydroxyethyl)-4-pyridinyl]methyl]pyridin-2-one
PubChem CID138651419
Molecular FormulaC34H32F2N4O5S
Molecular Weight646.72 g/mol
Exact Mass646.21
IUPAC Name3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfonyl-6-methylpyrimidin-4-yl]-1-[[2-(2-hydroxyethyl)-4-pyridinyl]methyl]pyridin-2-one
SMILESCc1cc(-c2cc(F)c(=O)n(Cc3ccnc(CCO)c3)c2)nc(S(=O)(=O)CCC(OCc2ccccc2F)c2ccccc2)n1
InChIInChI=1S/C34H32F2N4O5S/c1-23-17-31(27-19-30(36)33(42)40(21-27)20-24-11-14-37-28(18-24)12-15-41)39-34(38-23)46(43,44)16-13-32(25-7-3-2-4-8-25)45-22-26-9-5-6-10-29(26)35/h2-11,14,17-19,21,32,41H,12-13,15-16,20,22H2,1H3
InChIKeyMUOOWGOMTUHVGI-UHFFFAOYSA-N
XLogP4.99
TPSA124.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500646.72
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfonyl-6-methylpyrimidin-4-yl]-1-[[2-(2-hydroxyethyl)-4-pyridinyl]methyl]pyridin-2-one 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-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfonyl-6-methylpyrimidin-4-yl]-1-[[2-(2-hydroxyethyl)-4-pyridinyl]methyl]pyridin-2-one?
The IUPAC name of 3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfonyl-6-methylpyrimidin-4-yl]-1-[[2-(2-hydroxyethyl)-4-pyridinyl]methyl]pyridin-2-one (CID 138651419) is 3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfonyl-6-methylpyrimidin-4-yl]-1-[[2-(2-hydroxyethyl)-4-pyridinyl]methyl]pyridin-2-one.
What is the SMILES notation for 3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfonyl-6-methylpyrimidin-4-yl]-1-[[2-(2-hydroxyethyl)-4-pyridinyl]methyl]pyridin-2-one?
The canonical SMILES for 3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfonyl-6-methylpyrimidin-4-yl]-1-[[2-(2-hydroxyethyl)-4-pyridinyl]methyl]pyridin-2-one is Cc1cc(-c2cc(F)c(=O)n(Cc3ccnc(CCO)c3)c2)nc(S(=O)(=O)CCC(OCc2ccccc2F)c2ccccc2)n1.
What is the InChIKey of 3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfonyl-6-methylpyrimidin-4-yl]-1-[[2-(2-hydroxyethyl)-4-pyridinyl]methyl]pyridin-2-one?
The InChIKey is MUOOWGOMTUHVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F2N4O5S/c1-23-17-31(27-19-30(36)33(42)40(21-27)20-24-11-14-37-28(18-24)12-15-41)39-34(38-23)46(43,44)16-13-32(25-7-3-2-4-8-25)45-22-26-9-5-6-10-29(26)35/h2-11,14,17-19,21,32,41H,12-13,15-16,20,22H2,1H3.
What are the key properties of 3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfonyl-6-methylpyrimidin-4-yl]-1-[[2-(2-hydroxyethyl)-4-pyridinyl]methyl]pyridin-2-one?
3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfonyl-6-methylpyrimidin-4-yl]-1-[[2-(2-hydroxyethyl)-4-pyridinyl]methyl]pyridin-2-one has a molecular weight of 646.72 g/mol, XLogP of 4.99, 13 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[2-[3-[(2-fluorophenyl)methoxy]-3-phenylpropyl]sulfonyl-6-methylpyrimidin-4-yl]-1-[[2-(2-hydroxyethyl)-4-pyridinyl]methyl]pyridin-2-one is sourced from PubChem (CID 138651419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).