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

C24H23Cl2N5O — CID 135945964

IUPAC6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]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(Cc1ccc(-c3cccc(Cl)c3Cl)nc1)CC2
InChIInChI=1S/C24H23Cl2N5O/c25-18-5-3-4-16(22(18)26)19-8-7-15(12-28-19)13-31-11-9-20-17(14-31)24(32)30-23(29-20)21-6-1-2-10-27-21/h3-5,7-8,12H,1-2,6,9-11,13-14H2,(H,29,30,32)
InChIKeyVKRJFGKVJNNARP-UHFFFAOYSA-N
MW468.39 g/mol
LogP4.67
Rot. Bonds4

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

6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135945964) has the molecular formula C24H23Cl2N5O and a molecular weight of 468.39 g/mol. Its IUPAC name is 6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]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-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135945964
Molecular FormulaC24H23Cl2N5O
Molecular Weight468.39 g/mol
Exact Mass467.13
IUPAC Name6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]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(Cc1ccc(-c3cccc(Cl)c3Cl)nc1)CC2
InChIInChI=1S/C24H23Cl2N5O/c25-18-5-3-4-16(22(18)26)19-8-7-15(12-28-19)13-31-11-9-20-17(14-31)24(32)30-23(29-20)21-6-1-2-10-27-21/h3-5,7-8,12H,1-2,6,9-11,13-14H2,(H,29,30,32)
InChIKeyVKRJFGKVJNNARP-UHFFFAOYSA-N
XLogP4.67
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.39
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]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

2-(4-aminophenyl)-6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945973
6-[(2-chloro-6-methylphenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917612
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
2-amino-6-[[6-(2-chlorophenyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945525
6-[[5-(2-chlorophenyl)furan-2-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942226
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-(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-[(3-chloro-2,6-difluorophenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918589
6-[(2-chloro-3-methoxyphenyl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917492
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-(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
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

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]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-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135945964) is 6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]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-(2,3-dichlorophenyl)-3-pyridinyl]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-(2,3-dichlorophenyl)-3-pyridinyl]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(Cc1ccc(-c3cccc(Cl)c3Cl)nc1)CC2.
What is the InChIKey of 6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is VKRJFGKVJNNARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N5O/c25-18-5-3-4-16(22(18)26)19-8-7-15(12-28-19)13-31-11-9-20-17(14-31)24(32)30-23(29-20)21-6-1-2-10-27-21/h3-5,7-8,12H,1-2,6,9-11,13-14H2,(H,29,30,32).
What are the key properties of 6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]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 468.39 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(2,3-dichlorophenyl)-3-pyridinyl]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 135945964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).