4-pyridin-2-yl-2-[(2R)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one

C23H26N4O4 — CID 136735376

IUPAC4-pyridin-2-yl-2-[(2R)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
SMILESCOc1cc(CN2CCC[C@@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)cc(OC)c1OC
InChIInChI=1S/C23H26N4O4/c1-29-19-11-15(12-20(30-2)22(19)31-3)14-27-10-6-8-18(27)23-25-17(13-21(28)26-23)16-7-4-5-9-24-16/h4-5,7,9,11-13,18H,6,8,10,14H2,1-3H3,(H,25,26,28)/t18-/m1/s1
InChIKeyKFPDCIDWLZDWDF-GOSISDBHSA-N
MW422.49 g/mol
LogP3.19
Rot. Bonds7

About 4-pyridin-2-yl-2-[(2R)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one

4-pyridin-2-yl-2-[(2R)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one (PubChem CID 136735376) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 4-pyridin-2-yl-2-[(2R)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-pyridin-2-yl-2-[(2R)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
PubChem CID136735376
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name4-pyridin-2-yl-2-[(2R)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
SMILESCOc1cc(CN2CCC[C@@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)cc(OC)c1OC
InChIInChI=1S/C23H26N4O4/c1-29-19-11-15(12-20(30-2)22(19)31-3)14-27-10-6-8-18(27)23-25-17(13-21(28)26-23)16-7-4-5-9-24-16/h4-5,7,9,11-13,18H,6,8,10,14H2,1-3H3,(H,25,26,28)/t18-/m1/s1
InChIKeyKFPDCIDWLZDWDF-GOSISDBHSA-N
XLogP3.19
TPSA89.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-pyridin-2-yl-2-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136821000
4-pyridin-2-yl-2-[(3R)-1-(3,4,5-trimethoxybenzoyl)pyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136735357
2-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136881140
2-pyridin-2-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136765588
2-pyridin-3-yl-4-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-2-yl]-1H-pyrimidin-6-one
CID 136881730
4-pyridin-3-yl-2-[1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-yl]-1H-pyrimidin-6-one
CID 136816113
2-[(2S)-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682307
2-[(2R)-1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136850203
2-[(2R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135963652
4-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136765807
2-[(2R)-1-[(3-pyridin-2-ylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 95714571
3-methyl-5-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95079360

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-2-[(2R)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-pyridin-2-yl-2-[(2R)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one (CID 136735376) is 4-pyridin-2-yl-2-[(2R)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-pyridin-2-yl-2-[(2R)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-pyridin-2-yl-2-[(2R)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one is COc1cc(CN2CCC[C@@H]2c2nc(-c3ccccn3)cc(=O)[nH]2)cc(OC)c1OC.
What is the InChIKey of 4-pyridin-2-yl-2-[(2R)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is KFPDCIDWLZDWDF-GOSISDBHSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-29-19-11-15(12-20(30-2)22(19)31-3)14-27-10-6-8-18(27)23-25-17(13-21(28)26-23)16-7-4-5-9-24-16/h4-5,7,9,11-13,18H,6,8,10,14H2,1-3H3,(H,25,26,28)/t18-/m1/s1.
What are the key properties of 4-pyridin-2-yl-2-[(2R)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one?
4-pyridin-2-yl-2-[(2R)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 422.49 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-2-[(2R)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136735376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).