1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone

C16H21N3O2 — CID 62468965

IUPAC1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
SMILESO=C(Cc1cn2ccccc2n1)N1CCCC1CCCO
InChIInChI=1S/C16H21N3O2/c20-10-4-6-14-5-3-9-19(14)16(21)11-13-12-18-8-2-1-7-15(18)17-13/h1-2,7-8,12,14,20H,3-6,9-11H2
InChIKeyMZSHXLJNDRUUOR-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.64
Rot. Bonds5

About 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone

1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone (PubChem CID 62468965) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
PubChem CID62468965
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
SMILESO=C(Cc1cn2ccccc2n1)N1CCCC1CCCO
InChIInChI=1S/C16H21N3O2/c20-10-4-6-14-5-3-9-19(14)16(21)11-13-12-18-8-2-1-7-15(18)17-13/h1-2,7-8,12,14,20H,3-6,9-11H2
InChIKeyMZSHXLJNDRUUOR-UHFFFAOYSA-N
XLogP1.64
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-imidazo[1,2-a]pyridin-2-yl-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 95603187
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-phenylethanone
CID 62469494
1-[2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 86847286
2-imidazo[1,2-a]pyridin-2-yl-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95319617
2-(2-hydroxyphenyl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 80740881
1-[(2R)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 97018134
(2S)-2-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-1-carboxylic acid
CID 68938043
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-2-ylmethanone
CID 66261240
1-(3-hydroxyazetidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 63106394
[(2R)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-2-yl]methanol
CID 62736748
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 103900447
2-imidazo[1,2-a]pyridin-2-yl-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone
CID 95313099

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone?
The IUPAC name of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone (CID 62468965) is 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone.
What is the SMILES notation for 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone?
The canonical SMILES for 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone is O=C(Cc1cn2ccccc2n1)N1CCCC1CCCO.
What is the InChIKey of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone?
The InChIKey is MZSHXLJNDRUUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c20-10-4-6-14-5-3-9-19(14)16(21)11-13-12-18-8-2-1-7-15(18)17-13/h1-2,7-8,12,14,20H,3-6,9-11H2.
What are the key properties of 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone?
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone has a molecular weight of 287.36 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone is sourced from PubChem (CID 62468965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).