[(2S,4S)-1-(1,5-dimethylpyrazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone

C20H25N5O4 — CID 110198684

IUPAC[(2S,4S)-1-(1,5-dimethylpyrazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1cc(C(=O)N2C[C@@H](Oc3cccnc3)C[C@H]2C(=O)N2CCOCC2)nn1C
InChIInChI=1S/C20H25N5O4/c1-14-10-17(22-23(14)2)19(26)25-13-16(29-15-4-3-5-21-12-15)11-18(25)20(27)24-6-8-28-9-7-24/h3-5,10,12,16,18H,6-9,11,13H2,1-2H3/t16-,18-/m0/s1
InChIKeyRCDJEWZQWNPNIU-WMZOPIPTSA-N
MW399.45 g/mol
LogP0.64
Rot. Bonds4

About [(2S,4S)-1-(1,5-dimethylpyrazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S,4S)-1-(1,5-dimethylpyrazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 110198684) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is [(2S,4S)-1-(1,5-dimethylpyrazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S,4S)-1-(1,5-dimethylpyrazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID110198684
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name[(2S,4S)-1-(1,5-dimethylpyrazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCc1cc(C(=O)N2C[C@@H](Oc3cccnc3)C[C@H]2C(=O)N2CCOCC2)nn1C
InChIInChI=1S/C20H25N5O4/c1-14-10-17(22-23(14)2)19(26)25-13-16(29-15-4-3-5-21-12-15)11-18(25)20(27)24-6-8-28-9-7-24/h3-5,10,12,16,18H,6-9,11,13H2,1-2H3/t16-,18-/m0/s1
InChIKeyRCDJEWZQWNPNIU-WMZOPIPTSA-N
XLogP0.64
TPSA89.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S,4S)-1-(3-methylbenzoyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110198632
morpholin-4-yl-[(2S,4S)-4-phenoxy-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]methanone
CID 110198171
morpholin-4-yl-[(2S,4S)-1-(1-phenylcyclopropanecarbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]methanone
CID 110198675
morpholin-4-yl-[4-phenoxy-1-(pyridine-4-carbonyl)pyrrolidin-2-yl]methanone
CID 171142070
[(2R,4S)-1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110196990
[(2S,4S)-1-(pyridine-2-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198917
[(2S,4S)-1-(furan-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198873
[(2S,4S)-1-(1-methylpyrrole-2-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198924
1-[(2S,4S)-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidin-1-yl]ethanone
CID 110198184
[(2S,4S)-1-(4-methoxybenzoyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198878
[(2S,4S)-1-(furan-2-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-pyrrolidin-1-ylmethanone
CID 110198919
(2S,4S)-N-methyl-2-(morpholine-4-carbonyl)-4-phenoxypyrrolidine-1-carboxamide
CID 110198215

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-(1,5-dimethylpyrazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S,4S)-1-(1,5-dimethylpyrazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 110198684) is [(2S,4S)-1-(1,5-dimethylpyrazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S,4S)-1-(1,5-dimethylpyrazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S,4S)-1-(1,5-dimethylpyrazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone is Cc1cc(C(=O)N2C[C@@H](Oc3cccnc3)C[C@H]2C(=O)N2CCOCC2)nn1C.
What is the InChIKey of [(2S,4S)-1-(1,5-dimethylpyrazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is RCDJEWZQWNPNIU-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-14-10-17(22-23(14)2)19(26)25-13-16(29-15-4-3-5-21-12-15)11-18(25)20(27)24-6-8-28-9-7-24/h3-5,10,12,16,18H,6-9,11,13H2,1-2H3/t16-,18-/m0/s1.
What are the key properties of [(2S,4S)-1-(1,5-dimethylpyrazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S,4S)-1-(1,5-dimethylpyrazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 399.45 g/mol, XLogP of 0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-(1,5-dimethylpyrazole-3-carbonyl)-4-pyridin-3-yloxypyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 110198684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).