7-(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one

C24H20F2N4O2S — CID 45498996

IUPAC7-(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2c(-c3ccc(F)cc3)csc2c1=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H20F2N4O2S/c25-17-3-1-16(2-4-17)20-14-33-23-22(20)27-15-30(24(23)32)13-21(31)29-11-9-28(10-12-29)19-7-5-18(26)6-8-19/h1-8,14-15H,9-13H2
InChIKeySCZFEDZAPBTDMH-UHFFFAOYSA-N
MW466.51 g/mol
LogP3.75
Rot. Bonds4

About 7-(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one

7-(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 45498996) has the molecular formula C24H20F2N4O2S and a molecular weight of 466.51 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID45498996
Molecular FormulaC24H20F2N4O2S
Molecular Weight466.51 g/mol
Exact Mass466.13
IUPAC Name7-(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
SMILESO=C(Cn1cnc2c(-c3ccc(F)cc3)csc2c1=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C24H20F2N4O2S/c25-17-3-1-16(2-4-17)20-14-33-23-22(20)27-15-30(24(23)32)13-21(31)29-11-9-28(10-12-29)19-7-5-18(26)6-8-19/h1-8,14-15H,9-13H2
InChIKeySCZFEDZAPBTDMH-UHFFFAOYSA-N
XLogP3.75
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.51
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-[7-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 45498997
N-(4-bromophenyl)-2-[7-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 45499007
2-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one
CID 27374423
7-(4-fluorophenyl)-3-(2-methylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 53035266
N-(4-butylphenyl)-2-[7-(4-fluorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 45499033
2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-piperidin-1-ylphenyl)acetamide
CID 30762194
ethyl 2-[7-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate
CID 30849928
5-(4-fluorophenyl)-3-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]thieno[2,3-d]pyrimidin-4-one
CID 18195142
N-(5-fluoro-2-methylphenyl)-2-(4-oxo-7-phenylthieno[3,2-d]pyrimidin-3-yl)acetamide
CID 30849624
N-cyclopentyl-2-[7-(4-methylphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetamide
CID 45498399
6-butyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121063468
3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-methyl-5-piperidin-1-ylsulfonylthieno[2,3-d]pyrimidin-4-one
CID 5166999

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one (CID 45498996) is 7-(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one is O=C(Cn1cnc2c(-c3ccc(F)cc3)csc2c1=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 7-(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is SCZFEDZAPBTDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N4O2S/c25-17-3-1-16(2-4-17)20-14-33-23-22(20)27-15-30(24(23)32)13-21(31)29-11-9-28(10-12-29)19-7-5-18(26)6-8-19/h1-8,14-15H,9-13H2.
What are the key properties of 7-(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one?
7-(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 466.51 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 45498996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).