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

C18H18N4O2 — CID 124990766

IUPAC6-[(2S)-1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
SMILESCn1cc(C(=O)N2CCC[C@H]2c2ccnc(=O)[nH]2)c2ccccc21
InChIInChI=1S/C18H18N4O2/c1-21-11-13(12-5-2-3-6-15(12)21)17(23)22-10-4-7-16(22)14-8-9-19-18(24)20-14/h2-3,5-6,8-9,11,16H,4,7,10H2,1H3,(H,19,20,24)/t16-/m0/s1
InChIKeyPEERWFPOFFFOCQ-INIZCTEOSA-N
MW322.37 g/mol
LogP2.24
Rot. Bonds2

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

6-[(2S)-1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one (PubChem CID 124990766) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 6-[(2S)-1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[(2S)-1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
PubChem CID124990766
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name6-[(2S)-1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
SMILESCn1cc(C(=O)N2CCC[C@H]2c2ccnc(=O)[nH]2)c2ccccc21
InChIInChI=1S/C18H18N4O2/c1-21-11-13(12-5-2-3-6-15(12)21)17(23)22-10-4-7-16(22)14-8-9-19-18(24)20-14/h2-3,5-6,8-9,11,16H,4,7,10H2,1H3,(H,19,20,24)/t16-/m0/s1
InChIKeyPEERWFPOFFFOCQ-INIZCTEOSA-N
XLogP2.24
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(2S)-1-(1-ethylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 124941958
6-[(3S)-1-(1-methylindole-3-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124960537
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
N-[1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]formamide
CID 174675554
(1-methylindol-3-yl)-[(2S)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 96580779
(1-methylindol-3-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 124605867
6-[1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114851
(1-ethylindol-3-yl)-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 155983463
6-[1-[3-(1H-indol-3-yl)propanoyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114854
2-(1-methylindol-3-yl)-1-[(2S)-2-pyridin-2-ylpyrrolidin-1-yl]ethanone
CID 94811631
6-[(2R)-1-[1-(2-fluorophenyl)cyclopropanecarbonyl]pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 125017066

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[(2S)-1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one (CID 124990766) is 6-[(2S)-1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[(2S)-1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[(2S)-1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one is Cn1cc(C(=O)N2CCC[C@H]2c2ccnc(=O)[nH]2)c2ccccc21.
What is the InChIKey of 6-[(2S)-1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
The InChIKey is PEERWFPOFFFOCQ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-21-11-13(12-5-2-3-6-15(12)21)17(23)22-10-4-7-16(22)14-8-9-19-18(24)20-14/h2-3,5-6,8-9,11,16H,4,7,10H2,1H3,(H,19,20,24)/t16-/m0/s1.
What are the key properties of 6-[(2S)-1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one?
6-[(2S)-1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one has a molecular weight of 322.37 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-1-(1-methylindole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 124990766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).