[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone

C24H22N4O2 — CID 155505876

IUPAC[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccn2)cc1)N1C[C@@H](Cc2ccc3ccccc3n2)[C@H](O)C1
InChIInChI=1S/C24H22N4O2/c29-23-16-27(24(30)18-7-10-21(11-8-18)28-13-3-12-25-28)15-19(23)14-20-9-6-17-4-1-2-5-22(17)26-20/h1-13,19,23,29H,14-16H2/t19-,23-/m1/s1
InChIKeyMQFPITGWHYYQFO-AUSIDOKSSA-N
MW398.47 g/mol
LogP3.10
Rot. Bonds4

About [(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone

[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone (PubChem CID 155505876) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is [(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
PubChem CID155505876
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC Name[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccn2)cc1)N1C[C@@H](Cc2ccc3ccccc3n2)[C@H](O)C1
InChIInChI=1S/C24H22N4O2/c29-23-16-27(24(30)18-7-10-21(11-8-18)28-13-3-12-25-28)15-19(23)14-20-9-6-17-4-1-2-5-22(17)26-20/h1-13,19,23,29H,14-16H2/t19-,23-/m1/s1
InChIKeyMQFPITGWHYYQFO-AUSIDOKSSA-N
XLogP3.10
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone with MolForge

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Related Compounds

(2,3-dimethylquinoxalin-6-yl)-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 155505920
(3-hydroxyazetidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
CID 55176659
[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-(1H-pyrazolo[5,4-b]pyridin-6-yl)methanone
CID 155499230
[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 135117582
[1-(difluoromethyl)-5-methylpyrrol-2-yl]-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 135098723
2-(cyclopropylamino)-1-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]ethanone
CID 135110284
(2-fluoro-6-methoxyphenyl)-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 134705147
[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-([1,2]oxazolo[3,4-b]pyridin-3-yl)methanone
CID 155492449
[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-(5-methoxy-2-methyl-4-pyridinyl)methanone
CID 155492509
1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63005917
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 134700993
N,N-diethyl-2-[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]acetamide
CID 135094368

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The IUPAC name of [(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone (CID 155505876) is [(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for [(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for [(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone is O=C(c1ccc(-n2cccn2)cc1)N1C[C@@H](Cc2ccc3ccccc3n2)[C@H](O)C1.
What is the InChIKey of [(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The InChIKey is MQFPITGWHYYQFO-AUSIDOKSSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-23-16-27(24(30)18-7-10-21(11-8-18)28-13-3-12-25-28)15-19(23)14-20-9-6-17-4-1-2-5-22(17)26-20/h1-13,19,23,29H,14-16H2/t19-,23-/m1/s1.
What are the key properties of [(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
[(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone has a molecular weight of 398.47 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-hydroxy-4-(quinolin-2-ylmethyl)pyrrolidin-1-yl]-(4-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 155505876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).