2-(2,4-dimethoxypyrimidin-5-yl)-5-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one

C22H26N6O4 — CID 166796068

IUPAC2-(2,4-dimethoxypyrimidin-5-yl)-5-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
SMILESCCc1cc(N2Cc3c(nc(-c4cnc(OC)nc4OC)n3C(C)C)C2=O)c(=O)n(C)c1
InChIInChI=1S/C22H26N6O4/c1-7-13-8-15(20(29)26(4)10-13)27-11-16-17(21(27)30)24-18(28(16)12(2)3)14-9-23-22(32-6)25-19(14)31-5/h8-10,12H,7,11H2,1-6H3
InChIKeyLQRBVZFSSYTWJO-UHFFFAOYSA-N
MW438.49 g/mol
LogP2.36
Rot. Bonds6

About 2-(2,4-dimethoxypyrimidin-5-yl)-5-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one

2-(2,4-dimethoxypyrimidin-5-yl)-5-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one (PubChem CID 166796068) has the molecular formula C22H26N6O4 and a molecular weight of 438.49 g/mol. Its IUPAC name is 2-(2,4-dimethoxypyrimidin-5-yl)-5-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one.

Molecular Properties

Compound Name2-(2,4-dimethoxypyrimidin-5-yl)-5-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
PubChem CID166796068
Molecular FormulaC22H26N6O4
Molecular Weight438.49 g/mol
Exact Mass438.20
IUPAC Name2-(2,4-dimethoxypyrimidin-5-yl)-5-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
SMILESCCc1cc(N2Cc3c(nc(-c4cnc(OC)nc4OC)n3C(C)C)C2=O)c(=O)n(C)c1
InChIInChI=1S/C22H26N6O4/c1-7-13-8-15(20(29)26(4)10-13)27-11-16-17(21(27)30)24-18(28(16)12(2)3)14-9-23-22(32-6)25-19(14)31-5/h8-10,12H,7,11H2,1-6H3
InChIKeyLQRBVZFSSYTWJO-UHFFFAOYSA-N
XLogP2.36
TPSA104.37 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(2,4-dimethoxypyrimidin-5-yl)-5-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one with MolForge

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Related Compounds

(4S)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-2-(2,4-dimethoxypyrimidin-5-yl)-4-ethenyl-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 146300289
(4R)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 71679278
4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-5-(1,5-dimethyl-2-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86767050
(3R)-6-chloro-5'-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-2'-(2,4-dimethoxypyrimidin-5-yl)-3'-propan-2-ylspiro[1H-indole-3,4'-pyrrolo[3,4-d]imidazole]-2,6'-dione
CID 156656481
4-(4-chlorophenyl)-5-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 139500058
4-(4-chloro-2-methylphenyl)-5-(3-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86766987
4-(4-chlorophenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-5-(1,4-dimethyl-6-oxo-2-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 86767049
(4R)-5-(6-chloro-1,3-benzodioxol-5-yl)-4-(5-chlorothiophen-2-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 139500184
(6S)-5-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-6-(4-chloro-2-methylphenyl)-2-(2,4-dimethoxypyrimidin-5-yl)-1-propan-2-yl-6H-pyrrolo[3,4-b]pyrrol-4-one
CID 90016040
N-[5-[1-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]piperidin-4-yl]-2-[(2,6-dioxopiperidin-3-yl)-methylamino]phenyl]-N-methylformamide
CID 171554355
chlorobenzene;1-[3-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-2-(2,4-dimethoxypyrimidin-5-yl)-6-oxo-4H-pyrrolo[3,4-d]imidazol-3-yl]propyl]-N-[6-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]hexyl]triazole-4-carboxamide
CID 171554528
(4R)-4-(5-chlorothiophen-2-yl)-2-(2,4-dimethoxypyrimidin-5-yl)-5-(6-fluoro-1,3-benzodioxol-5-yl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one
CID 139500182

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxypyrimidin-5-yl)-5-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
The IUPAC name of 2-(2,4-dimethoxypyrimidin-5-yl)-5-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one (CID 166796068) is 2-(2,4-dimethoxypyrimidin-5-yl)-5-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one.
What is the SMILES notation for 2-(2,4-dimethoxypyrimidin-5-yl)-5-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
The canonical SMILES for 2-(2,4-dimethoxypyrimidin-5-yl)-5-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one is CCc1cc(N2Cc3c(nc(-c4cnc(OC)nc4OC)n3C(C)C)C2=O)c(=O)n(C)c1.
What is the InChIKey of 2-(2,4-dimethoxypyrimidin-5-yl)-5-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
The InChIKey is LQRBVZFSSYTWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4/c1-7-13-8-15(20(29)26(4)10-13)27-11-16-17(21(27)30)24-18(28(16)12(2)3)14-9-23-22(32-6)25-19(14)31-5/h8-10,12H,7,11H2,1-6H3.
What are the key properties of 2-(2,4-dimethoxypyrimidin-5-yl)-5-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one?
2-(2,4-dimethoxypyrimidin-5-yl)-5-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one has a molecular weight of 438.49 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxypyrimidin-5-yl)-5-(5-ethyl-1-methyl-2-oxo-3-pyridinyl)-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-6-one is sourced from PubChem (CID 166796068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).