5-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C22H24N4O4 — CID 92626865

IUPAC5-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCOc1ccc([C@H]2CCCN2C(=O)c2cc(C)nc3c2c(=O)[nH]c(=O)n3C)cc1
InChIInChI=1S/C22H24N4O4/c1-4-30-15-9-7-14(8-10-15)17-6-5-11-26(17)21(28)16-12-13(2)23-19-18(16)20(27)24-22(29)25(19)3/h7-10,12,17H,4-6,11H2,1-3H3,(H,24,27,29)/t17-/m1/s1
InChIKeyIPTMCPHCKSTBKN-QGZVFWFLSA-N
MW408.46 g/mol
LogP2.31
Rot. Bonds4

About 5-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

5-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 92626865) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 5-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID92626865
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name5-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCOc1ccc([C@H]2CCCN2C(=O)c2cc(C)nc3c2c(=O)[nH]c(=O)n3C)cc1
InChIInChI=1S/C22H24N4O4/c1-4-30-15-9-7-14(8-10-15)17-6-5-11-26(17)21(28)16-12-13(2)23-19-18(16)20(27)24-22(29)25(19)3/h7-10,12,17H,4-6,11H2,1-3H3,(H,24,27,29)/t17-/m1/s1
InChIKeyIPTMCPHCKSTBKN-QGZVFWFLSA-N
XLogP2.31
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

6-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-2,5-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 46974999
7-[(2S)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 39680391
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 112806434
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 86918269
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 112806435
3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 92626055
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 51257064
(4-chloro-1H-pyrrol-2-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 86911368
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 134017853
3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 24675430
[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 124602381
(2S)-2-(4-ethoxyphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrolidine-1-carboxamide
CID 94048522

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 92626865) is 5-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is CCOc1ccc([C@H]2CCCN2C(=O)c2cc(C)nc3c2c(=O)[nH]c(=O)n3C)cc1.
What is the InChIKey of 5-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is IPTMCPHCKSTBKN-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-4-30-15-9-7-14(8-10-15)17-6-5-11-26(17)21(28)16-12-13(2)23-19-18(16)20(27)24-22(29)25(19)3/h7-10,12,17H,4-6,11H2,1-3H3,(H,24,27,29)/t17-/m1/s1.
What are the key properties of 5-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
5-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 408.46 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,7-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 92626865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).