(5S)-5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one

C18H18FN3O2 — CID 95045762

IUPAC(5S)-5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)N1
InChIInChI=1S/C18H18FN3O2/c19-12-1-2-13-14(10-20-16(13)9-12)11-5-7-22(8-6-11)18(24)15-3-4-17(23)21-15/h1-2,5,9-10,15,20H,3-4,6-8H2,(H,21,23)/t15-/m0/s1
InChIKeyQPVYCDCFYFWXGB-HNNXBMFYSA-N
MW327.36 g/mol
LogP2.20
Rot. Bonds2

About (5S)-5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one

(5S)-5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one (PubChem CID 95045762) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is (5S)-5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
PubChem CID95045762
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name(5S)-5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
SMILESO=C1CC[C@@H](C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)N1
InChIInChI=1S/C18H18FN3O2/c19-12-1-2-13-14(10-20-16(13)9-12)11-5-7-22(8-6-11)18(24)15-3-4-17(23)21-15/h1-2,5,9-10,15,20H,3-4,6-8H2,(H,21,23)/t15-/m0/s1
InChIKeyQPVYCDCFYFWXGB-HNNXBMFYSA-N
XLogP2.20
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5S)-5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one with MolForge

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Related Compounds

(4S)-4-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-1,3-thiazolidin-2-one
CID 124505944
4-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-N,N-dimethylpiperidine-1-carboxamide
CID 60516211
(2-chlorophenyl)-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113087028
4-(6-fluoro-1H-indol-3-yl)-N-propan-2-yl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 113087048
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 75452399
3-[2-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
CID 55730680
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylsulfanylpropan-1-one
CID 56815883
3-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]-7-methyl-1H-1,8-naphthyridin-4-one
CID 60516238
2-(4-chlorophenyl)sulfanyl-1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 55733477
(5R)-5-(4-naphthalen-1-yl-3,6-dihydro-2H-pyridine-1-carbonyl)pyrrolidin-2-one
CID 95044705
(4R)-1-(4-fluorophenyl)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
CID 97034511
1-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylphenyl)ethanone
CID 113087040

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one (CID 95045762) is (5S)-5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one is O=C1CC[C@@H](C(=O)N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)N1.
What is the InChIKey of (5S)-5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is QPVYCDCFYFWXGB-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c19-12-1-2-13-14(10-20-16(13)9-12)11-5-7-22(8-6-11)18(24)15-3-4-17(23)21-15/h1-2,5,9-10,15,20H,3-4,6-8H2,(H,21,23)/t15-/m0/s1.
What are the key properties of (5S)-5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one?
(5S)-5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 327.36 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 95045762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).