6-[(6,8-dibromo-4-oxochromen-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C22H20Br2N4O3 — CID 135862756

IUPAC6-[(6,8-dibromo-4-oxochromen-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2=NCCCC2)nc2c1CN(Cc1coc3c(Br)cc(Br)cc3c1=O)CC2
InChIInChI=1S/C22H20Br2N4O3/c23-13-7-14-19(29)12(11-31-20(14)16(24)8-13)9-28-6-4-17-15(10-28)22(30)27-21(26-17)18-3-1-2-5-25-18/h7-8,11H,1-6,9-10H2,(H,26,27,30)
InChIKeyOIAKHVVGUOAWEB-UHFFFAOYSA-N
MW548.24 g/mol
LogP3.93
Rot. Bonds3

About 6-[(6,8-dibromo-4-oxochromen-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-[(6,8-dibromo-4-oxochromen-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135862756) has the molecular formula C22H20Br2N4O3 and a molecular weight of 548.24 g/mol. Its IUPAC name is 6-[(6,8-dibromo-4-oxochromen-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(6,8-dibromo-4-oxochromen-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135862756
Molecular FormulaC22H20Br2N4O3
Molecular Weight548.24 g/mol
Exact Mass545.99
IUPAC Name6-[(6,8-dibromo-4-oxochromen-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(C2=NCCCC2)nc2c1CN(Cc1coc3c(Br)cc(Br)cc3c1=O)CC2
InChIInChI=1S/C22H20Br2N4O3/c23-13-7-14-19(29)12(11-31-20(14)16(24)8-13)9-28-6-4-17-15(10-28)22(30)27-21(26-17)18-3-1-2-5-25-18/h7-8,11H,1-6,9-10H2,(H,26,27,30)
InChIKeyOIAKHVVGUOAWEB-UHFFFAOYSA-N
XLogP3.93
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.24
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(6,8-dibromo-4-oxochromen-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-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

6-(furan-2-ylmethyl)-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135860879
6-[[5-(4-bromophenyl)furan-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942286
6-[(2,4-dihydroxyphenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916972
6-(1H-pyrazol-4-ylmethyl)-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943664
6-(pyrimidin-5-ylmethyl)-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944884
6-[(2-methylpyrazol-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944844
2-(4-aminophenyl)-6-[(6-bromo-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862725
6-[(4-hydroxy-3,5-dimethylphenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919866
6-[(4-chloro-3-pyridinyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945164
6-[(4-pyrrolidin-1-ylphenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919268
6-[(5-methyl-1,3-thiazol-2-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947677
6-(1H-pyrrol-2-ylmethyl)-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861059

Frequently Asked Questions

What is the IUPAC name of 6-[(6,8-dibromo-4-oxochromen-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(6,8-dibromo-4-oxochromen-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135862756) is 6-[(6,8-dibromo-4-oxochromen-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(6,8-dibromo-4-oxochromen-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(6,8-dibromo-4-oxochromen-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1[nH]c(C2=NCCCC2)nc2c1CN(Cc1coc3c(Br)cc(Br)cc3c1=O)CC2.
What is the InChIKey of 6-[(6,8-dibromo-4-oxochromen-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is OIAKHVVGUOAWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Br2N4O3/c23-13-7-14-19(29)12(11-31-20(14)16(24)8-13)9-28-6-4-17-15(10-28)22(30)27-21(26-17)18-3-1-2-5-25-18/h7-8,11H,1-6,9-10H2,(H,26,27,30).
What are the key properties of 6-[(6,8-dibromo-4-oxochromen-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(6,8-dibromo-4-oxochromen-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 548.24 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6,8-dibromo-4-oxochromen-3-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135862756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).