5-(2-imidazol-1-ylethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one

C23H24N6O3 — CID 66958972

IUPAC5-(2-imidazol-1-ylethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OCCn3ccnc3)c2c1=O
InChIInChI=1S/C23H24N6O3/c1-27-16-25-20-14-19(17-2-4-18(5-3-17)29-9-11-31-12-10-29)26-22(21(20)23(27)30)32-13-8-28-7-6-24-15-28/h2-7,14-16H,8-13H2,1H3
InChIKeyTXKGXCJVJGSYIQ-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.11
Rot. Bonds6

About 5-(2-imidazol-1-ylethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one

5-(2-imidazol-1-ylethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 66958972) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 5-(2-imidazol-1-ylethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2-imidazol-1-ylethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID66958972
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name5-(2-imidazol-1-ylethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OCCn3ccnc3)c2c1=O
InChIInChI=1S/C23H24N6O3/c1-27-16-25-20-14-19(17-2-4-18(5-3-17)29-9-11-31-12-10-29)26-22(21(20)23(27)30)32-13-8-28-7-6-24-15-28/h2-7,14-16H,8-13H2,1H3
InChIKeyTXKGXCJVJGSYIQ-UHFFFAOYSA-N
XLogP2.11
TPSA87.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(2-imidazol-1-ylethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 5-(2-imidazol-1-ylethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one (CID 66958972) is 5-(2-imidazol-1-ylethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2-imidazol-1-ylethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(2-imidazol-1-ylethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OCCn3ccnc3)c2c1=O.
What is the InChIKey of 5-(2-imidazol-1-ylethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is TXKGXCJVJGSYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-27-16-25-20-14-19(17-2-4-18(5-3-17)29-9-11-31-12-10-29)26-22(21(20)23(27)30)32-13-8-28-7-6-24-15-28/h2-7,14-16H,8-13H2,1H3.
What are the key properties of 5-(2-imidazol-1-ylethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one?
5-(2-imidazol-1-ylethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 432.48 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-imidazol-1-ylethoxy)-3-methyl-7-(4-morpholin-4-ylphenyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 66958972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).