[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-7-yl)methanone

C20H21N3O2 — CID 136587827

IUPAC[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-7-yl)methanone
SMILESCc1cn2ccc(C(=O)N3C[C@@H](Cc4ccccc4)[C@H](O)C3)cc2n1
InChIInChI=1S/C20H21N3O2/c1-14-11-22-8-7-16(10-19(22)21-14)20(25)23-12-17(18(24)13-23)9-15-5-3-2-4-6-15/h2-8,10-11,17-18,24H,9,12-13H2,1H3/t17-,18-/m1/s1
InChIKeyZJENJSURSARJER-QZTJIDSGSA-N
MW335.41 g/mol
LogP2.32
Rot. Bonds3

About [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-7-yl)methanone

[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-7-yl)methanone (PubChem CID 136587827) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-7-yl)methanone.

Molecular Properties

Compound Name[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-7-yl)methanone
PubChem CID136587827
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-7-yl)methanone
SMILESCc1cn2ccc(C(=O)N3C[C@@H](Cc4ccccc4)[C@H](O)C3)cc2n1
InChIInChI=1S/C20H21N3O2/c1-14-11-22-8-7-16(10-19(22)21-14)20(25)23-12-17(18(24)13-23)9-15-5-3-2-4-6-15/h2-8,10-11,17-18,24H,9,12-13H2,1H3/t17-,18-/m1/s1
InChIKeyZJENJSURSARJER-QZTJIDSGSA-N
XLogP2.32
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-dimethyl-4-pyridinyl)-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 135103697
methyl 1-(2-phenylimidazo[1,2-a]pyridine-7-carbonyl)piperidine-3-carboxylate
CID 108810625
1-(2-methylimidazo[1,2-a]pyridin-7-yl)ethanone
CID 84654894
[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-thieno[2,3-c]pyridin-2-ylmethanone
CID 136587831
(2,6-difluoro-4-methoxyphenyl)-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 134707878
(2,3-dimethylquinoxalin-6-yl)-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 155505920
[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(1H-pyrrolo[3,2-b]pyridin-5-yl)methanone
CID 136587823
(1,2-dimethylpyrrol-3-yl)-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone
CID 135093804
[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-[5-(2-methylpyrazol-3-yl)naphthalen-2-yl]methanone
CID 175644974
3-[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidine-1-carbonyl]-1-methylquinolin-2-one
CID 135089713
N-(1-azabicyclo[2.2.1]heptan-3-yl)-2-methylimidazo[1,2-a]pyridine-7-carboxamide
CID 22565551
[(3S,4R)-3-hydroxy-4-(quinolin-4-ylmethyl)pyrrolidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-7-yl)methanone
CID 155496034

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-7-yl)methanone?
The IUPAC name of [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-7-yl)methanone (CID 136587827) is [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-7-yl)methanone.
What is the SMILES notation for [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-7-yl)methanone?
The canonical SMILES for [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-7-yl)methanone is Cc1cn2ccc(C(=O)N3C[C@@H](Cc4ccccc4)[C@H](O)C3)cc2n1.
What is the InChIKey of [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-7-yl)methanone?
The InChIKey is ZJENJSURSARJER-QZTJIDSGSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-11-22-8-7-16(10-19(22)21-14)20(25)23-12-17(18(24)13-23)9-15-5-3-2-4-6-15/h2-8,10-11,17-18,24H,9,12-13H2,1H3/t17-,18-/m1/s1.
What are the key properties of [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-7-yl)methanone?
[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-7-yl)methanone has a molecular weight of 335.41 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-(2-methylimidazo[1,2-a]pyridin-7-yl)methanone is sourced from PubChem (CID 136587827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).