2-(4-chlorophenyl)-6-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C24H18ClF3N4OS — CID 135947329

IUPAC2-(4-chlorophenyl)-6-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccc(Cl)cc2)nc2c1CN(Cc1csc(-c3ccc(C(F)(F)F)cc3)n1)CC2
InChIInChI=1S/C24H18ClF3N4OS/c25-17-7-3-14(4-8-17)21-30-20-9-10-32(12-19(20)22(33)31-21)11-18-13-34-23(29-18)15-1-5-16(6-2-15)24(26,27)28/h1-8,13H,9-12H2,(H,30,31,33)
InChIKeyUYUWQLCFOQDYMY-UHFFFAOYSA-N
MW502.95 g/mol
LogP5.79
Rot. Bonds4

About 2-(4-chlorophenyl)-6-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-(4-chlorophenyl)-6-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135947329) has the molecular formula C24H18ClF3N4OS and a molecular weight of 502.95 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135947329
Molecular FormulaC24H18ClF3N4OS
Molecular Weight502.95 g/mol
Exact Mass502.08
IUPAC Name2-(4-chlorophenyl)-6-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccc(Cl)cc2)nc2c1CN(Cc1csc(-c3ccc(C(F)(F)F)cc3)n1)CC2
InChIInChI=1S/C24H18ClF3N4OS/c25-17-7-3-14(4-8-17)21-30-20-9-10-32(12-19(20)22(33)31-21)11-18-13-34-23(29-18)15-1-5-16(6-2-15)24(26,27)28/h1-8,13H,9-12H2,(H,30,31,33)
InChIKeyUYUWQLCFOQDYMY-UHFFFAOYSA-N
XLogP5.79
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.95
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-fluorophenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919816
2-(4-chlorophenyl)-6-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917904
6-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946724
2-[4-(trifluoromethyl)phenyl]-6-[(2,3,4-trifluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916522
6-(1,3-thiazol-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862326
6-benzyl-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137091053
6-[(4-butylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919397
2-(4-chlorophenyl)-6-[[4-(trifluoromethoxy)phenyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135920157
6-[(5-bromofuran-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862406
6-[(4-morpholin-4-ylphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919298
6-[(4-fluoro-3-methoxyphenyl)methyl]-2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919736
2-[4-(trifluoromethyl)phenyl]-6-[[6-[4-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945434

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-6-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135947329) is 2-(4-chlorophenyl)-6-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-6-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-6-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(-c2ccc(Cl)cc2)nc2c1CN(Cc1csc(-c3ccc(C(F)(F)F)cc3)n1)CC2.
What is the InChIKey of 2-(4-chlorophenyl)-6-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is UYUWQLCFOQDYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF3N4OS/c25-17-7-3-14(4-8-17)21-30-20-9-10-32(12-19(20)22(33)31-21)11-18-13-34-23(29-18)15-1-5-16(6-2-15)24(26,27)28/h1-8,13H,9-12H2,(H,30,31,33).
What are the key properties of 2-(4-chlorophenyl)-6-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-(4-chlorophenyl)-6-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 502.95 g/mol, XLogP of 5.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135947329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).