[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone

C20H21N3O3 — CID 56907864

IUPAC[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone
SMILESCOc1ccc(OC)c(C2CCN(C(=O)c3cccc4ccnn34)C2)c1
InChIInChI=1S/C20H21N3O3/c1-25-16-6-7-19(26-2)17(12-16)14-9-11-22(13-14)20(24)18-5-3-4-15-8-10-21-23(15)18/h3-8,10,12,14H,9,11,13H2,1-2H3
InChIKeyLHZDGXQHWHLLKE-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.98
Rot. Bonds4

About [3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone

[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone (PubChem CID 56907864) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is [3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone.

Molecular Properties

Compound Name[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone
PubChem CID56907864
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone
SMILESCOc1ccc(OC)c(C2CCN(C(=O)c3cccc4ccnn34)C2)c1
InChIInChI=1S/C20H21N3O3/c1-25-16-6-7-19(26-2)17(12-16)14-9-11-22(13-14)20(24)18-5-3-4-15-8-10-21-23(15)18/h3-8,10,12,14H,9,11,13H2,1-2H3
InChIKeyLHZDGXQHWHLLKE-UHFFFAOYSA-N
XLogP2.98
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-pyridazin-3-ylmethanone
CID 70783397
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 70755395
(1-cyclohexyltriazol-4-yl)-[(3S)-3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]methanone
CID 25311591
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-(methoxymethyl)-5-methyl-1,2-oxazol-3-yl]methanone
CID 70716299
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 70712972
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 70741338
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 70740438
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 50956041
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
CID 70785020
[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone
CID 96580017
(3S)-3-(2,5-dimethoxyphenyl)-N-[2-(1-methylpyrrol-2-yl)ethyl]pyrrolidine-1-carboxamide
CID 125438587
1-[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 70750807

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone?
The IUPAC name of [3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone (CID 56907864) is [3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone.
What is the SMILES notation for [3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone?
The canonical SMILES for [3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone is COc1ccc(OC)c(C2CCN(C(=O)c3cccc4ccnn34)C2)c1.
What is the InChIKey of [3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone?
The InChIKey is LHZDGXQHWHLLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-25-16-6-7-19(26-2)17(12-16)14-9-11-22(13-14)20(24)18-5-3-4-15-8-10-21-23(15)18/h3-8,10,12,14H,9,11,13H2,1-2H3.
What are the key properties of [3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone?
[3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone has a molecular weight of 351.41 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-7-ylmethanone is sourced from PubChem (CID 56907864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).