3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

C22H23N3O3 — CID 92626055

IUPAC3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCOc1ccc([C@H]2CCCN2C(=O)c2cnc3c(C)cccn3c2=O)cc1
InChIInChI=1S/C22H23N3O3/c1-3-28-17-10-8-16(9-11-17)19-7-5-12-24(19)21(26)18-14-23-20-15(2)6-4-13-25(20)22(18)27/h4,6,8-11,13-14,19H,3,5,7,12H2,1-2H3/t19-/m1/s1
InChIKeyJFOBXUZKNRIVDU-LJQANCHMSA-N
MW377.44 g/mol
LogP3.38
Rot. Bonds4

About 3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 92626055) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID92626055
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCOc1ccc([C@H]2CCCN2C(=O)c2cnc3c(C)cccn3c2=O)cc1
InChIInChI=1S/C22H23N3O3/c1-3-28-17-10-8-16(9-11-17)19-7-5-12-24(19)21(26)18-14-23-20-15(2)6-4-13-25(20)22(18)27/h4,6,8-11,13-14,19H,3,5,7,12H2,1-2H3/t19-/m1/s1
InChIKeyJFOBXUZKNRIVDU-LJQANCHMSA-N
XLogP3.38
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 24675430
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 112806435
[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
3-[(2S)-2-phenylpyrrolidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 92839895
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 47803445
6-[2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-2,5-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 46974999
[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 124602381
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 51111109
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 134017853
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 55668774
7-[(2S)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 39680391

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 92626055) is 3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is CCOc1ccc([C@H]2CCCN2C(=O)c2cnc3c(C)cccn3c2=O)cc1.
What is the InChIKey of 3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JFOBXUZKNRIVDU-LJQANCHMSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-3-28-17-10-8-16(9-11-17)19-7-5-12-24(19)21(26)18-14-23-20-15(2)6-4-13-25(20)22(18)27/h4,6,8-11,13-14,19H,3,5,7,12H2,1-2H3/t19-/m1/s1.
What are the key properties of 3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 377.44 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 92626055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).