[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone

C18H25N5O2 — CID 129339949

IUPAC[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
SMILESCCc1nn(C)cc1C(=O)N1CC[C@H](Oc2cccnc2N(C)C)C1
InChIInChI=1S/C18H25N5O2/c1-5-15-14(12-22(4)20-15)18(24)23-10-8-13(11-23)25-16-7-6-9-19-17(16)21(2)3/h6-7,9,12-13H,5,8,10-11H2,1-4H3/t13-/m0/s1
InChIKeyWSDRGBHDPJJLOI-ZDUSSCGKSA-N
MW343.43 g/mol
LogP1.74
Rot. Bonds5

About [(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone

[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone (PubChem CID 129339949) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is [(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
PubChem CID129339949
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
SMILESCCc1nn(C)cc1C(=O)N1CC[C@H](Oc2cccnc2N(C)C)C1
InChIInChI=1S/C18H25N5O2/c1-5-15-14(12-22(4)20-15)18(24)23-10-8-13(11-23)25-16-7-6-9-19-17(16)21(2)3/h6-7,9,12-13H,5,8,10-11H2,1-4H3/t13-/m0/s1
InChIKeyWSDRGBHDPJJLOI-ZDUSSCGKSA-N
XLogP1.74
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone with MolForge

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Related Compounds

(3-ethyl-1-methylpyrazol-4-yl)-[(3S)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129329829
[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(4-ethylthiadiazol-5-yl)methanone
CID 128968786
[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
CID 129475975
3-[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 129476096
[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 129474789
[(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 129475193
(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 129335915
(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-(1-methylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 129335916
[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129476756
(1,3-dimethylpyrazol-4-yl)-[(3R)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 129473052
(3R)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]-N-pyridin-2-ylpyrrolidine-1-carboxamide
CID 129477549
2-[2-[3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-2-oxoethyl]-4-methyl-1,2,4-triazol-3-one
CID 128967014

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone?
The IUPAC name of [(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone (CID 129339949) is [(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone is CCc1nn(C)cc1C(=O)N1CC[C@H](Oc2cccnc2N(C)C)C1.
What is the InChIKey of [(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone?
The InChIKey is WSDRGBHDPJJLOI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-5-15-14(12-22(4)20-15)18(24)23-10-8-13(11-23)25-16-7-6-9-19-17(16)21(2)3/h6-7,9,12-13H,5,8,10-11H2,1-4H3/t13-/m0/s1.
What are the key properties of [(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone?
[(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone has a molecular weight of 343.43 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[[2-(dimethylamino)-3-pyridinyl]oxy]pyrrolidin-1-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 129339949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).