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

C20H22ClN5O — CID 135947709

IUPAC2-(4-chlorophenyl)-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc(CN2CCc3nc(-c4ccc(Cl)cc4)[nH]c(=O)c3C2)n(C)c1C
InChIInChI=1S/C20H22ClN5O/c1-12-13(2)25(3)18(22-12)11-26-9-8-17-16(10-26)20(27)24-19(23-17)14-4-6-15(21)7-5-14/h4-7H,8-11H2,1-3H3,(H,23,24,27)
InChIKeyJLIGVRDEXHVKAJ-UHFFFAOYSA-N
MW383.88 g/mol
LogP3.00
Rot. Bonds3

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

2-(4-chlorophenyl)-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135947709) has the molecular formula C20H22ClN5O and a molecular weight of 383.88 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135947709
Molecular FormulaC20H22ClN5O
Molecular Weight383.88 g/mol
Exact Mass383.15
IUPAC Name2-(4-chlorophenyl)-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc(CN2CCc3nc(-c4ccc(Cl)cc4)[nH]c(=O)c3C2)n(C)c1C
InChIInChI=1S/C20H22ClN5O/c1-12-13(2)25(3)18(22-12)11-26-9-8-17-16(10-26)20(27)24-19(23-17)14-4-6-15(21)7-5-14/h4-7H,8-11H2,1-3H3,(H,23,24,27)
InChIKeyJLIGVRDEXHVKAJ-UHFFFAOYSA-N
XLogP3.00
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-benzyl-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 137091053
2-(4-chlorophenyl)-6-[(3,4-dichlorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918282
2-(4-chlorophenyl)-6-[(5-ethylfuran-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861588
2-(4-chlorophenyl)-6-[(2-chloro-1,3-thiazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943038
6-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862048
2-(4-chlorophenyl)-6-[(2-methyl-4-phenyl-1,3-thiazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916404
6-[(3-tert-butyl-2-hydroxyphenyl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919201
6-[(5-bromo-2-pyridinyl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945196
2-pyridin-4-yl-6-[(1,3,5-trimethylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862438
2-(4-chlorophenyl)-6-[(2,4-dimethoxy-6-methylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917024
2-(4-chlorophenyl)-6-[(7-methyl-1H-indol-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861688
2-(4-chlorophenyl)-6-[(6-methyl-4-oxochromen-3-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862208

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135947709) is 2-(4-chlorophenyl)-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nc(CN2CCc3nc(-c4ccc(Cl)cc4)[nH]c(=O)c3C2)n(C)c1C.
What is the InChIKey of 2-(4-chlorophenyl)-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is JLIGVRDEXHVKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O/c1-12-13(2)25(3)18(22-12)11-26-9-8-17-16(10-26)20(27)24-19(23-17)14-4-6-15(21)7-5-14/h4-7H,8-11H2,1-3H3,(H,23,24,27).
What are the key properties of 2-(4-chlorophenyl)-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-(4-chlorophenyl)-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 383.88 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-[(1,4,5-trimethylimidazol-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135947709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).