6-[2-(4-fluorophenyl)acetyl]-2-(3,4,5-trimethoxyphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C24H24FN3O5 — CID 135413977

IUPAC6-[2-(4-fluorophenyl)acetyl]-2-(3,4,5-trimethoxyphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1cc(-c2nc3c(c(=O)[nH]2)CN(C(=O)Cc2ccc(F)cc2)CC3)cc(OC)c1OC
InChIInChI=1S/C24H24FN3O5/c1-31-19-11-15(12-20(32-2)22(19)33-3)23-26-18-8-9-28(13-17(18)24(30)27-23)21(29)10-14-4-6-16(25)7-5-14/h4-7,11-12H,8-10,13H2,1-3H3,(H,26,27,30)
InChIKeyWMAIDMONKALTDY-UHFFFAOYSA-N
MW453.47 g/mol
LogP2.73
Rot. Bonds6

About 6-[2-(4-fluorophenyl)acetyl]-2-(3,4,5-trimethoxyphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[2-(4-fluorophenyl)acetyl]-2-(3,4,5-trimethoxyphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135413977) has the molecular formula C24H24FN3O5 and a molecular weight of 453.47 g/mol. Its IUPAC name is 6-[2-(4-fluorophenyl)acetyl]-2-(3,4,5-trimethoxyphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-(4-fluorophenyl)acetyl]-2-(3,4,5-trimethoxyphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135413977
Molecular FormulaC24H24FN3O5
Molecular Weight453.47 g/mol
Exact Mass453.17
IUPAC Name6-[2-(4-fluorophenyl)acetyl]-2-(3,4,5-trimethoxyphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1cc(-c2nc3c(c(=O)[nH]2)CN(C(=O)Cc2ccc(F)cc2)CC3)cc(OC)c1OC
InChIInChI=1S/C24H24FN3O5/c1-31-19-11-15(12-20(32-2)22(19)33-3)23-26-18-8-9-28(13-17(18)24(30)27-23)21(29)10-14-4-6-16(25)7-5-14/h4-7,11-12H,8-10,13H2,1-3H3,(H,26,27,30)
InChIKeyWMAIDMONKALTDY-UHFFFAOYSA-N
XLogP2.73
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.47
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (6S)-3-benzyl-6-(3-fluorophenyl)-4-methyl-2-[(3,4,5-trimethoxyphenyl)methylimino]-1,6-dihydropyrimidine-5-carboxylate
CID 135693585
methyl (4S)-1-ethyl-6-methyl-4-phenyl-2-[(3,4,5-trimethoxyphenyl)methylamino]-4H-pyrimidine-5-carboxylate
CID 135871465
2-(3,4-Dimethoxyphenyl)-3-phenyl-4h-pyrido[1,2-a]pyrimidin-4-one
CID 76331965
2-(3,4,5-Trimethoxyphenyl)-3,4-dihydroquinazolin-4-one
CID 135470028
3(4H)-Quinazolineacetamide, N,N-diethyl-4-oxo-2-(3,4,5-trimethoxyphenyl)-
CID 3068397
3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)-3H-chromeno[2,3-d]pyrimidine-4,5-dione
CID 665895
(2-phenyl-4,5-dihydro-1H-imidazol-1-yl)(3,4,5-trimethoxyphenyl)methanone
CID 777296
8-Methoxy-3-(2-methoxyethyl)-2-(3,4,5-trimethoxyphenyl)chromeno[2,3-d]pyrimidine-4,5-dione
CID 1943119
2-(3,4,5-Trimethoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 122393958
3-(3,4-Dimethoxyphenyl)-2-(4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 76313832
2-(3,4-Dimethoxyphenyl)-3-(4-methoxyphenyl)pyrido[1,2-a]pyrimidin-4-one
CID 76328277
Methyl 3-ethyl-6-(3-fluorophenyl)-4-methyl-2-[(3,4,5-trimethoxyphenyl)methylimino]-1,6-dihydropyrimidine-5-carboxylate
CID 135998780

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-fluorophenyl)acetyl]-2-(3,4,5-trimethoxyphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[2-(4-fluorophenyl)acetyl]-2-(3,4,5-trimethoxyphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135413977) is 6-[2-(4-fluorophenyl)acetyl]-2-(3,4,5-trimethoxyphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-(4-fluorophenyl)acetyl]-2-(3,4,5-trimethoxyphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-(4-fluorophenyl)acetyl]-2-(3,4,5-trimethoxyphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COc1cc(-c2nc3c(c(=O)[nH]2)CN(C(=O)Cc2ccc(F)cc2)CC3)cc(OC)c1OC.
What is the InChIKey of 6-[2-(4-fluorophenyl)acetyl]-2-(3,4,5-trimethoxyphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is WMAIDMONKALTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O5/c1-31-19-11-15(12-20(32-2)22(19)33-3)23-26-18-8-9-28(13-17(18)24(30)27-23)21(29)10-14-4-6-16(25)7-5-14/h4-7,11-12H,8-10,13H2,1-3H3,(H,26,27,30).
What are the key properties of 6-[2-(4-fluorophenyl)acetyl]-2-(3,4,5-trimethoxyphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[2-(4-fluorophenyl)acetyl]-2-(3,4,5-trimethoxyphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 453.47 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-fluorophenyl)acetyl]-2-(3,4,5-trimethoxyphenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135413977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).