2-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C20H24N4O3 — CID 42954924

IUPAC2-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCOc1ccc(C2CCCN2CCn2nc3ccccn3c2=O)c(OC)c1
InChIInChI=1S/C20H24N4O3/c1-26-15-8-9-16(18(14-15)27-2)17-6-5-10-22(17)12-13-24-20(25)23-11-4-3-7-19(23)21-24/h3-4,7-9,11,14,17H,5-6,10,12-13H2,1-2H3
InChIKeyFPLNSUPZDMZYQV-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.35
Rot. Bonds6

About 2-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 42954924) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID42954924
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name2-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCOc1ccc(C2CCCN2CCn2nc3ccccn3c2=O)c(OC)c1
InChIInChI=1S/C20H24N4O3/c1-26-15-8-9-16(18(14-15)27-2)17-6-5-10-22(17)12-13-24-20(25)23-11-4-3-7-19(23)21-24/h3-4,7-9,11,14,17H,5-6,10,12-13H2,1-2H3
InChIKeyFPLNSUPZDMZYQV-UHFFFAOYSA-N
XLogP2.35
TPSA61.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-[2-(4-methoxyphenyl)azepan-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42950845
2-[2-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 43061554
(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine
CID 94709986
4-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]cyclohexan-1-one
CID 124886513
2-(2,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine
CID 55409373
4-[[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylpyridin-2-one
CID 94385398
3-[[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1,2,3-benzotriazin-4-one
CID 9285560
1-[2-[2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethoxy]phenyl]ethanone
CID 26546462
4-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]butane-1-sulfonic acid
CID 8834922
2-[[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]methyl]-1-methylimidazole
CID 51260690
1-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-pyrrol-1-ylbutan-1-one
CID 129393336
2-[2-[4-(4-methoxybenzoyl)piperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 86927912

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 42954924) is 2-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is COc1ccc(C2CCCN2CCn2nc3ccccn3c2=O)c(OC)c1.
What is the InChIKey of 2-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is FPLNSUPZDMZYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-26-15-8-9-16(18(14-15)27-2)17-6-5-10-22(17)12-13-24-20(25)23-11-4-3-7-19(23)21-24/h3-4,7-9,11,14,17H,5-6,10,12-13H2,1-2H3.
What are the key properties of 2-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 368.44 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 42954924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).