[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone

C21H23N3O2 — CID 51257064

IUPAC[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCCOc1ccc(C2CCCN2C(=O)c2cn3ccc(C)cc3n2)cc1
InChIInChI=1S/C21H23N3O2/c1-3-26-17-8-6-16(7-9-17)19-5-4-11-24(19)21(25)18-14-23-12-10-15(2)13-20(23)22-18/h6-10,12-14,19H,3-5,11H2,1-2H3
InChIKeyBHHYHABWDDLBGV-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.02
Rot. Bonds4

About [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone

[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone (PubChem CID 51257064) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
PubChem CID51257064
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone
SMILESCCOc1ccc(C2CCCN2C(=O)c2cn3ccc(C)cc3n2)cc1
InChIInChI=1S/C21H23N3O2/c1-3-26-17-8-6-16(7-9-17)19-5-4-11-24(19)21(25)18-14-23-12-10-15(2)13-20(23)22-18/h6-10,12-14,19H,3-5,11H2,1-2H3
InChIKeyBHHYHABWDDLBGV-UHFFFAOYSA-N
XLogP4.02
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(7-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-pyridin-4-ylazepan-1-yl]methanone
CID 94249778
[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
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 55668774
(4-chloro-1H-pyrrol-2-yl)-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 86911368
1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]butan-1-one
CID 134017853
7-[(2S)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 39680391
[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 124602381
[3-(1,3-dimethylpyrazol-4-yl)-1H-pyrazol-5-yl]-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methanone
CID 92628246
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(2-hydroxy-3-methylphenyl)methanone
CID 112806435
(2S)-N-(4-ethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855939
[(1S,2S)-2-(7-methylimidazo[1,2-a]pyridine-2-carbonyl)oxycyclohexyl] 7-methylimidazo[1,2-a]pyridine-2-carboxylate
CID 124887354

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The IUPAC name of [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone (CID 51257064) is [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone.
What is the SMILES notation for [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The canonical SMILES for [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone is CCOc1ccc(C2CCCN2C(=O)c2cn3ccc(C)cc3n2)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
The InChIKey is BHHYHABWDDLBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-26-17-8-6-16(7-9-17)19-5-4-11-24(19)21(25)18-14-23-12-10-15(2)13-20(23)22-18/h6-10,12-14,19H,3-5,11H2,1-2H3.
What are the key properties of [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone?
[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone has a molecular weight of 349.43 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)pyrrolidin-1-yl]-(7-methylimidazo[1,2-a]pyridin-2-yl)methanone is sourced from PubChem (CID 51257064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).