6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]thieno[3,2-d]pyrimidin-4-one

C24H19F2N5O2S — CID 18975261

IUPAC6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]thieno[3,2-d]pyrimidin-4-one
SMILESCC(n1cnc2cc(-c3ccc(F)cc3)sc2c1=O)C(O)(Cn1cncn1)c1ccccc1F
InChIInChI=1S/C24H19F2N5O2S/c1-15(24(33,11-30-13-27-12-29-30)18-4-2-3-5-19(18)26)31-14-28-20-10-21(34-22(20)23(31)32)16-6-8-17(25)9-7-16/h2-10,12-15,33H,11H2,1H3
InChIKeySKPJJXUPZWECHZ-UHFFFAOYSA-N
MW479.51 g/mol
LogP4.14
Rot. Bonds6

About 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]thieno[3,2-d]pyrimidin-4-one

6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 18975261) has the molecular formula C24H19F2N5O2S and a molecular weight of 479.51 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]thieno[3,2-d]pyrimidin-4-one
PubChem CID18975261
Molecular FormulaC24H19F2N5O2S
Molecular Weight479.51 g/mol
Exact Mass479.12
IUPAC Name6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]thieno[3,2-d]pyrimidin-4-one
SMILESCC(n1cnc2cc(-c3ccc(F)cc3)sc2c1=O)C(O)(Cn1cncn1)c1ccccc1F
InChIInChI=1S/C24H19F2N5O2S/c1-15(24(33,11-30-13-27-12-29-30)18-4-2-3-5-19(18)26)31-14-28-20-10-21(34-22(20)23(31)32)16-6-8-17(25)9-7-16/h2-10,12-15,33H,11H2,1H3
InChIKeySKPJJXUPZWECHZ-UHFFFAOYSA-N
XLogP4.14
TPSA85.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]thieno[3,2-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[[amino-[4-[3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-4-oxothieno[3,2-d]pyrimidin-6-yl]phenyl]methylidene]amino] acetate
CID 78190529
8-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-[1,3]thiazolo[5,4-f]quinazolin-9-one
CID 71528324
3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]pyrido[2,3-d]pyrimidin-4-one
CID 18975241
3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-7-(trifluoromethyl)quinazolin-4-one
CID 18975203
(2R,3R)-3-amino-2-(2-fluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 10658310
7-(4-chlorophenoxy)-3-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]quinazolin-4-one
CID 18975216
7-chloro-3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]quinazolin-4-one;1,3-thiazole
CID 174825058
3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-6-fluoro-1,2,3-benzotriazin-4-one
CID 152591140
2-(2-fluorophenyl)-3-(triazol-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 18986656
ethyl 3-(2-fluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanoate
CID 67913094
3-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-7-[4-[4-(5-oxo-1H-1,2,4-triazol-4-yl)phenyl]piperazin-1-yl]quinazolin-4-one
CID 10651732
3-amino-N-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-5-(4-fluorophenyl)thiophene-2-carboxamide
CID 10672607

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]thieno[3,2-d]pyrimidin-4-one (CID 18975261) is 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]thieno[3,2-d]pyrimidin-4-one is CC(n1cnc2cc(-c3ccc(F)cc3)sc2c1=O)C(O)(Cn1cncn1)c1ccccc1F.
What is the InChIKey of 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is SKPJJXUPZWECHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F2N5O2S/c1-15(24(33,11-30-13-27-12-29-30)18-4-2-3-5-19(18)26)31-14-28-20-10-21(34-22(20)23(31)32)16-6-8-17(25)9-7-16/h2-10,12-15,33H,11H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]thieno[3,2-d]pyrimidin-4-one?
6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 479.51 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-3-[3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 18975261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).