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

C23H20F3N3O3 — CID 137256854

IUPAC6-(4-methoxybenzoyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(C(=O)N2CCc3nc(Cc4cccc(C(F)(F)F)c4)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C23H20F3N3O3/c1-32-17-7-5-15(6-8-17)22(31)29-10-9-19-18(13-29)21(30)28-20(27-19)12-14-3-2-4-16(11-14)23(24,25)26/h2-8,11H,9-10,12-13H2,1H3,(H,27,28,30)
InChIKeyMTBYMKNVXSRJPZ-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.59
Rot. Bonds4

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

6-(4-methoxybenzoyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 137256854) has the molecular formula C23H20F3N3O3 and a molecular weight of 443.43 g/mol. Its IUPAC name is 6-(4-methoxybenzoyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-methoxybenzoyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID137256854
Molecular FormulaC23H20F3N3O3
Molecular Weight443.43 g/mol
Exact Mass443.15
IUPAC Name6-(4-methoxybenzoyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(C(=O)N2CCc3nc(Cc4cccc(C(F)(F)F)c4)[nH]c(=O)c3C2)cc1
InChIInChI=1S/C23H20F3N3O3/c1-32-17-7-5-15(6-8-17)22(31)29-10-9-19-18(13-29)21(30)28-20(27-19)12-14-3-2-4-16(11-14)23(24,25)26/h2-8,11H,9-10,12-13H2,1H3,(H,27,28,30)
InChIKeyMTBYMKNVXSRJPZ-UHFFFAOYSA-N
XLogP3.59
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(diaminomethylidene)-4-[1-(4-methoxybenzoyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
CID 58269592
2-Ethyl-3-[(4-methoxyphenyl)methyl][1]benzopyrano[2,3-d]pyrimidine-4,5-dione
CID 667297
4-methoxy-N-(4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)benzamide
CID 2242340
N-{2-[4-(difluoromethoxy)phenyl]ethyl}-2-(8-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)acetamide
CID 17421069
2-{3-[4-(2-Methoxy-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-propyl}-3H-quinazolin-4-one
CID 135405830
N-[2-(4-Methoxy-phenyl)-ethyl]-N-(4-oxo-3,4-dihydro-quinazolin-2-ylmethyl)-butyramide
CID 135429078
2-{3-[4-(4-Methoxy-phenyl)-3,6-dihydro-2H-pyridin-1-yl]-propyl}-3H-quinazolin-4-one
CID 135440349
3-methoxy-6-[4-(trifluoromethoxy)benzoyl]-2-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 57378694
6-(4-ethoxybenzoyl)-3-methoxy-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 66685546
3-but-2-ynyl-6-(4-methoxybenzoyl)-2-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 66685775
6-(4-ethoxybenzoyl)-3-methoxy-2-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 66688975
3-methoxy-6-[4-(trifluoromethoxy)benzoyl]-2-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
CID 122197734

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxybenzoyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-(4-methoxybenzoyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 137256854) is 6-(4-methoxybenzoyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-methoxybenzoyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-methoxybenzoyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COc1ccc(C(=O)N2CCc3nc(Cc4cccc(C(F)(F)F)c4)[nH]c(=O)c3C2)cc1.
What is the InChIKey of 6-(4-methoxybenzoyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is MTBYMKNVXSRJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O3/c1-32-17-7-5-15(6-8-17)22(31)29-10-9-19-18(13-29)21(30)28-20(27-19)12-14-3-2-4-16(11-14)23(24,25)26/h2-8,11H,9-10,12-13H2,1H3,(H,27,28,30).
What are the key properties of 6-(4-methoxybenzoyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-(4-methoxybenzoyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 443.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxybenzoyl)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 137256854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).