8-methyl-3-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-[1]benzofuro[3,2-d]pyrimidin-4-one

C25H23F3N4O3 — CID 170721959

IUPAC8-methyl-3-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCc1ccc2oc3c(=O)n(CCC(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cnc3c2c1
InChIInChI=1S/C25H23F3N4O3/c1-16-5-6-20-19(13-16)22-23(35-20)24(34)32(15-29-22)8-7-21(33)31-11-9-30(10-12-31)18-4-2-3-17(14-18)25(26,27)28/h2-6,13-15H,7-12H2,1H3
InChIKeySQCGXSZUYKQNHG-UHFFFAOYSA-N
MW484.48 g/mol
LogP4.21
Rot. Bonds4

About 8-methyl-3-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-[1]benzofuro[3,2-d]pyrimidin-4-one

8-methyl-3-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-[1]benzofuro[3,2-d]pyrimidin-4-one (PubChem CID 170721959) has the molecular formula C25H23F3N4O3 and a molecular weight of 484.48 g/mol. Its IUPAC name is 8-methyl-3-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-[1]benzofuro[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name8-methyl-3-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
PubChem CID170721959
Molecular FormulaC25H23F3N4O3
Molecular Weight484.48 g/mol
Exact Mass484.17
IUPAC Name8-methyl-3-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-[1]benzofuro[3,2-d]pyrimidin-4-one
SMILESCc1ccc2oc3c(=O)n(CCC(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cnc3c2c1
InChIInChI=1S/C25H23F3N4O3/c1-16-5-6-20-19(13-16)22-23(35-20)24(34)32(15-29-22)8-7-21(33)31-11-9-30(10-12-31)18-4-2-3-17(14-18)25(26,27)28/h2-6,13-15H,7-12H2,1H3
InChIKeySQCGXSZUYKQNHG-UHFFFAOYSA-N
XLogP4.21
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-methyl-3-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-5H-pyrimido[5,4-b]indol-4-one
CID 170721985
3-[3-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-3-oxopropyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one
CID 170722065
6-(4-methylphenyl)-2-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]pyridazin-3-one
CID 16885771
4-chloro-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
CID 5222838
12-methyl-10-[4-oxo-4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-9-one
CID 20893601
5-(4-methylphenyl)-3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one
CID 25398524
N-(5-methyl-1,2-oxazol-3-yl)-2-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]sulfanylacetamide
CID 24979159
3-[3-[4-(3-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]thieno[2,3-d]pyrimidin-4-one
CID 38601896
3,7-dimethyl-1-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]purine-2,6-dione
CID 31482926
3-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-8-methyl-5H-pyrimido[5,4-b]indol-4-one
CID 45499865
3-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethyl]-7,8,9,10-tetrahydro-6H-purino[9,8-a]azepin-4-one
CID 46276340
5,6-dimethyl-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]furo[2,3-d]pyrimidin-4-one
CID 53024170

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The IUPAC name of 8-methyl-3-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-[1]benzofuro[3,2-d]pyrimidin-4-one (CID 170721959) is 8-methyl-3-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-[1]benzofuro[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 8-methyl-3-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The canonical SMILES for 8-methyl-3-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-[1]benzofuro[3,2-d]pyrimidin-4-one is Cc1ccc2oc3c(=O)n(CCC(=O)N4CCN(c5cccc(C(F)(F)F)c5)CC4)cnc3c2c1.
What is the InChIKey of 8-methyl-3-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
The InChIKey is SQCGXSZUYKQNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O3/c1-16-5-6-20-19(13-16)22-23(35-20)24(34)32(15-29-22)8-7-21(33)31-11-9-30(10-12-31)18-4-2-3-17(14-18)25(26,27)28/h2-6,13-15H,7-12H2,1H3.
What are the key properties of 8-methyl-3-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-[1]benzofuro[3,2-d]pyrimidin-4-one?
8-methyl-3-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-[1]benzofuro[3,2-d]pyrimidin-4-one has a molecular weight of 484.48 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-[3-oxo-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propyl]-[1]benzofuro[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 170721959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).