4-[(3R)-1-[(2R)-2-(4-ethoxyphenoxy)propanoyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one

C24H26N4O4 — CID 136735325

IUPAC4-[(3R)-1-[(2R)-2-(4-ethoxyphenoxy)propanoyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCCOc1ccc(O[C@H](C)C(=O)N2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1
InChIInChI=1S/C24H26N4O4/c1-3-31-19-4-6-20(7-5-19)32-16(2)24(30)28-13-10-18(15-28)21-14-22(29)27-23(26-21)17-8-11-25-12-9-17/h4-9,11-12,14,16,18H,3,10,13,15H2,1-2H3,(H,26,27,29)/t16-,18-/m1/s1
InChIKeyGEQINYSWYXBTMP-SJLPKXTDSA-N
MW434.50 g/mol
LogP3.01
Rot. Bonds7

About 4-[(3R)-1-[(2R)-2-(4-ethoxyphenoxy)propanoyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one

4-[(3R)-1-[(2R)-2-(4-ethoxyphenoxy)propanoyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 136735325) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 4-[(3R)-1-[(2R)-2-(4-ethoxyphenoxy)propanoyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3R)-1-[(2R)-2-(4-ethoxyphenoxy)propanoyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID136735325
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name4-[(3R)-1-[(2R)-2-(4-ethoxyphenoxy)propanoyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCCOc1ccc(O[C@H](C)C(=O)N2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1
InChIInChI=1S/C24H26N4O4/c1-3-31-19-4-6-20(7-5-19)32-16(2)24(30)28-13-10-18(15-28)21-14-22(29)27-23(26-21)17-8-11-25-12-9-17/h4-9,11-12,14,16,18H,3,10,13,15H2,1-2H3,(H,26,27,29)/t16-,18-/m1/s1
InChIKeyGEQINYSWYXBTMP-SJLPKXTDSA-N
XLogP3.01
TPSA97.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(3R)-1-[(2R)-2-(4-ethoxyphenoxy)propanoyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-[2-(4-methylphenoxy)propanoyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136816097
4-[(3R)-1-[(2S)-2-(4-methylphenoxy)propanoyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136860911
4-[(3S)-1-[(2S)-2-(3-fluorophenoxy)propanoyl]pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136774977
4-[(3R)-1-[2-(3-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136850293
4-[(3R)-1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136682114
4-[(3R)-1-[(3-ethoxy-4-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136735250
4-[(3R)-1-(2-ethylbutanoyl)pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136892094
4-[1-[2-(3-fluorophenyl)acetyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136816093
(2R)-2-(4-ethoxyphenoxy)-1-[4-(1H-pyrrolo[3,2-b]pyridin-2-yl)piperidin-1-yl]propan-1-one
CID 92593870
4-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136681421
4-[(3S)-1-[[(1S)-cyclohex-3-en-1-yl]methyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137158797
4-[(3S)-1-[2-(4-tert-butylphenoxy)acetyl]pyrrolidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136860247

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-1-[(2R)-2-(4-ethoxyphenoxy)propanoyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3R)-1-[(2R)-2-(4-ethoxyphenoxy)propanoyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one (CID 136735325) is 4-[(3R)-1-[(2R)-2-(4-ethoxyphenoxy)propanoyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3R)-1-[(2R)-2-(4-ethoxyphenoxy)propanoyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3R)-1-[(2R)-2-(4-ethoxyphenoxy)propanoyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one is CCOc1ccc(O[C@H](C)C(=O)N2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1.
What is the InChIKey of 4-[(3R)-1-[(2R)-2-(4-ethoxyphenoxy)propanoyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is GEQINYSWYXBTMP-SJLPKXTDSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-3-31-19-4-6-20(7-5-19)32-16(2)24(30)28-13-10-18(15-28)21-14-22(29)27-23(26-21)17-8-11-25-12-9-17/h4-9,11-12,14,16,18H,3,10,13,15H2,1-2H3,(H,26,27,29)/t16-,18-/m1/s1.
What are the key properties of 4-[(3R)-1-[(2R)-2-(4-ethoxyphenoxy)propanoyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
4-[(3R)-1-[(2R)-2-(4-ethoxyphenoxy)propanoyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 434.50 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-1-[(2R)-2-(4-ethoxyphenoxy)propanoyl]pyrrolidin-3-yl]-2-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136735325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).