[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone

C19H19N3O2 — CID 135108285

IUPAC[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
SMILESCc1ccccc1C1(O)CCN(C(=O)c2ccc3nccn3c2)C1
InChIInChI=1S/C19H19N3O2/c1-14-4-2-3-5-16(14)19(24)8-10-22(13-19)18(23)15-6-7-17-20-9-11-21(17)12-15/h2-7,9,11-12,24H,8,10,13H2,1H3
InChIKeyOGFGXUQYIGVDEB-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.38
Rot. Bonds2

About [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone

[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone (PubChem CID 135108285) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone.

Molecular Properties

Compound Name[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
PubChem CID135108285
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
SMILESCc1ccccc1C1(O)CCN(C(=O)c2ccc3nccn3c2)C1
InChIInChI=1S/C19H19N3O2/c1-14-4-2-3-5-16(14)19(24)8-10-22(13-19)18(23)15-6-7-17-20-9-11-21(17)12-15/h2-7,9,11-12,24H,8,10,13H2,1H3
InChIKeyOGFGXUQYIGVDEB-UHFFFAOYSA-N
XLogP2.38
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
The IUPAC name of [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone (CID 135108285) is [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone.
What is the SMILES notation for [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
The canonical SMILES for [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone is Cc1ccccc1C1(O)CCN(C(=O)c2ccc3nccn3c2)C1.
What is the InChIKey of [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
The InChIKey is OGFGXUQYIGVDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-14-4-2-3-5-16(14)19(24)8-10-22(13-19)18(23)15-6-7-17-20-9-11-21(17)12-15/h2-7,9,11-12,24H,8,10,13H2,1H3.
What are the key properties of [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone?
[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone has a molecular weight of 321.38 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone is sourced from PubChem (CID 135108285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).