2-pyrimidin-5-yl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C23H18F3N5O2 — CID 135942353

IUPAC2-pyrimidin-5-yl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cncnc2)nc2c1CN(Cc1ccc(-c3cccc(C(F)(F)F)c3)o1)CC2
InChIInChI=1S/C23H18F3N5O2/c24-23(25,26)16-3-1-2-14(8-16)20-5-4-17(33-20)11-31-7-6-19-18(12-31)22(32)30-21(29-19)15-9-27-13-28-10-15/h1-5,8-10,13H,6-7,11-12H2,(H,29,30,32)
InChIKeyINDNLVOKJMPXJR-UHFFFAOYSA-N
MW453.42 g/mol
LogP4.06
Rot. Bonds4

About 2-pyrimidin-5-yl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-pyrimidin-5-yl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135942353) has the molecular formula C23H18F3N5O2 and a molecular weight of 453.42 g/mol. Its IUPAC name is 2-pyrimidin-5-yl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-pyrimidin-5-yl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135942353
Molecular FormulaC23H18F3N5O2
Molecular Weight453.42 g/mol
Exact Mass453.14
IUPAC Name2-pyrimidin-5-yl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2cncnc2)nc2c1CN(Cc1ccc(-c3cccc(C(F)(F)F)c3)o1)CC2
InChIInChI=1S/C23H18F3N5O2/c24-23(25,26)16-3-1-2-14(8-16)20-5-4-17(33-20)11-31-7-6-19-18(12-31)22(32)30-21(29-19)15-9-27-13-28-10-15/h1-5,8-10,13H,6-7,11-12H2,(H,29,30,32)
InChIKeyINDNLVOKJMPXJR-UHFFFAOYSA-N
XLogP4.06
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-pyrimidin-5-yl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-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

2-pyrimidin-5-yl-6-[[5-[3-(trifluoromethyl)phenyl]thiophen-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947031
6-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942209
6-[(5-iodofuran-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862423
6-[[5-[2-chloro-5-(trifluoromethyl)phenyl]furan-2-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942368
6-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917799
6-[[5-(3-chlorophenyl)furan-2-yl]methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942204
6-[(5-bromofuran-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862406
6-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-pyridin-4-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942288
6-[(5-ethylfuran-2-yl)methyl]-2-pyridin-3-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861579
6-[(4-bromothiophen-2-yl)methyl]-2-pyrimidin-5-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861126
2-pyridin-4-yl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24910762
6-[(5-bromofuran-2-yl)methyl]-2-phenyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862395

Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-5-yl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-pyrimidin-5-yl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135942353) is 2-pyrimidin-5-yl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-pyrimidin-5-yl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-pyrimidin-5-yl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2cncnc2)nc2c1CN(Cc1ccc(-c3cccc(C(F)(F)F)c3)o1)CC2.
What is the InChIKey of 2-pyrimidin-5-yl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is INDNLVOKJMPXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O2/c24-23(25,26)16-3-1-2-14(8-16)20-5-4-17(33-20)11-31-7-6-19-18(12-31)22(32)30-21(29-19)15-9-27-13-28-10-15/h1-5,8-10,13H,6-7,11-12H2,(H,29,30,32).
What are the key properties of 2-pyrimidin-5-yl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-pyrimidin-5-yl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 453.42 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-5-yl-6-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135942353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).