6-(furan-2-yl)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

C18H18N4O3 — CID 95337509

IUPAC6-(furan-2-yl)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCn1cc([C@@H]2CCCN2C(=O)c2ccc(-c3ccco3)[nH]c2=O)cn1
InChIInChI=1S/C18H18N4O3/c1-21-11-12(10-19-21)15-4-2-8-22(15)18(24)13-6-7-14(20-17(13)23)16-5-3-9-25-16/h3,5-7,9-11,15H,2,4,8H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyHGXRAEFYHQTLCV-HNNXBMFYSA-N
MW338.37 g/mol
LogP2.35
Rot. Bonds3

About 6-(furan-2-yl)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

6-(furan-2-yl)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 95337509) has the molecular formula C18H18N4O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is 6-(furan-2-yl)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(furan-2-yl)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID95337509
Molecular FormulaC18H18N4O3
Molecular Weight338.37 g/mol
Exact Mass338.14
IUPAC Name6-(furan-2-yl)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESCn1cc([C@@H]2CCCN2C(=O)c2ccc(-c3ccco3)[nH]c2=O)cn1
InChIInChI=1S/C18H18N4O3/c1-21-11-12(10-19-21)15-4-2-8-22(15)18(24)13-6-7-14(20-17(13)23)16-5-3-9-25-16/h3,5-7,9-11,15H,2,4,8H2,1H3,(H,20,23)/t15-/m0/s1
InChIKeyHGXRAEFYHQTLCV-HNNXBMFYSA-N
XLogP2.35
TPSA84.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-(furan-2-yl)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one with MolForge

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Related Compounds

3-[2-(aminomethyl)piperidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride
CID 119466891
3-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
CID 95977327
[(1R,2S)-2-(furan-2-yl)cyclopropyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95352222
3-[2-(4-ethylphenyl)piperazine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one;hydrochloride
CID 120741124
(5-bromofuran-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56824993
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569404
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 95569418
3-[(3R)-3-aminopyrrolidine-1-carbonyl]-6-(furan-2-yl)-1H-pyridin-2-one
CID 119410087
1H-indol-6-yl-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95340715
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95752168
6-(furan-2-yl)-3-[3-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyridin-2-one;hydrochloride
CID 119395633
(4R)-1-(furan-2-ylmethyl)-4-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 95312335

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 6-(furan-2-yl)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 95337509) is 6-(furan-2-yl)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-(furan-2-yl)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 6-(furan-2-yl)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is Cn1cc([C@@H]2CCCN2C(=O)c2ccc(-c3ccco3)[nH]c2=O)cn1.
What is the InChIKey of 6-(furan-2-yl)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is HGXRAEFYHQTLCV-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18N4O3/c1-21-11-12(10-19-21)15-4-2-8-22(15)18(24)13-6-7-14(20-17(13)23)16-5-3-9-25-16/h3,5-7,9-11,15H,2,4,8H2,1H3,(H,20,23)/t15-/m0/s1.
What are the key properties of 6-(furan-2-yl)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
6-(furan-2-yl)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 338.37 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 95337509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).