6-[(2S)-1-(1-ethylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one

C19H20N4O2 — CID 124941958

IUPAC6-[(2S)-1-(1-ethylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
SMILESCCn1cc(C(=O)N2CCC[C@H]2c2ccnc(=O)[nH]2)c2ccccc21
InChIInChI=1S/C19H20N4O2/c1-2-22-12-14(13-6-3-4-7-16(13)22)18(24)23-11-5-8-17(23)15-9-10-20-19(25)21-15/h3-4,6-7,9-10,12,17H,2,5,8,11H2,1H3,(H,20,21,25)/t17-/m0/s1
InChIKeyARBRGQMRQREIBL-KRWDZBQOSA-N
MW336.40 g/mol
LogP2.72
Rot. Bonds3

About 6-[(2S)-1-(1-ethylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one

6-[(2S)-1-(1-ethylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one (PubChem CID 124941958) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 6-[(2S)-1-(1-ethylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(2S)-1-(1-ethylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
PubChem CID124941958
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name6-[(2S)-1-(1-ethylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
SMILESCCn1cc(C(=O)N2CCC[C@H]2c2ccnc(=O)[nH]2)c2ccccc21
InChIInChI=1S/C19H20N4O2/c1-2-22-12-14(13-6-3-4-7-16(13)22)18(24)23-11-5-8-17(23)15-9-10-20-19(25)21-15/h3-4,6-7,9-10,12,17H,2,5,8,11H2,1H3,(H,20,21,25)/t17-/m0/s1
InChIKeyARBRGQMRQREIBL-KRWDZBQOSA-N
XLogP2.72
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2S)-1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 124990766
(1-ethylindol-3-yl)-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 155983463
6-[(3S)-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124960537
6-[1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114851
6-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114830
6-[(2S)-1-(1-benzothiophene-2-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 124954720
6-[1-[3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114854
[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-ethylindol-3-yl)methanone
CID 138009191
6-[1-(2-naphthalen-2-ylacetyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114866
N-[[1-(1-ethylindole-3-carbonyl)piperidin-2-yl]methyl]methanesulfonamide
CID 47029988
6-[(2S)-1-[2-(4-fluorophenoxy)acetyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 125010069
(1-benzylindol-3-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 18711813

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-1-(1-ethylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(2S)-1-(1-ethylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one (CID 124941958) is 6-[(2S)-1-(1-ethylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(2S)-1-(1-ethylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(2S)-1-(1-ethylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one is CCn1cc(C(=O)N2CCC[C@H]2c2ccnc(=O)[nH]2)c2ccccc21.
What is the InChIKey of 6-[(2S)-1-(1-ethylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The InChIKey is ARBRGQMRQREIBL-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-2-22-12-14(13-6-3-4-7-16(13)22)18(24)23-11-5-8-17(23)15-9-10-20-19(25)21-15/h3-4,6-7,9-10,12,17H,2,5,8,11H2,1H3,(H,20,21,25)/t17-/m0/s1.
What are the key properties of 6-[(2S)-1-(1-ethylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
6-[(2S)-1-(1-ethylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one has a molecular weight of 336.40 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-1-(1-ethylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 124941958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).