(4R)-1-(4-fluorophenyl)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one

C24H22FN3O2 — CID 97034511

IUPAC(4R)-1-(4-fluorophenyl)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
SMILESO=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CC=C(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C24H22FN3O2/c25-18-5-7-19(8-6-18)28-15-17(13-23(28)29)24(30)27-11-9-16(10-12-27)21-14-26-22-4-2-1-3-20(21)22/h1-9,14,17,26H,10-13,15H2/t17-/m1/s1
InChIKeyNJYZTUAQPFATQP-QGZVFWFLSA-N
MW403.46 g/mol
LogP3.98
Rot. Bonds3

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

(4R)-1-(4-fluorophenyl)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one (PubChem CID 97034511) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is (4R)-1-(4-fluorophenyl)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(4-fluorophenyl)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
PubChem CID97034511
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC Name(4R)-1-(4-fluorophenyl)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
SMILESO=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CC=C(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C24H22FN3O2/c25-18-5-7-19(8-6-18)28-15-17(13-23(28)29)24(30)27-11-9-16(10-12-27)21-14-26-22-4-2-1-3-20(21)22/h1-9,14,17,26H,10-13,15H2/t17-/m1/s1
InChIKeyNJYZTUAQPFATQP-QGZVFWFLSA-N
XLogP3.98
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]imidazolidin-2-one
CID 97083905
(5S)-5-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
CID 95045762
1-(3-propan-2-ylphenyl)-4-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one
CID 55556179
N-(2,4-difluorophenyl)-4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 46277479
(4R)-4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-1-(3-fluorophenyl)pyrrolidin-2-one
CID 97034478
(2-chlorophenyl)-[4-(6-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 113087028
methyl (2R)-2-[[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 39889979
(1-hydroxycyclopentyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 110931231
[4-(5-fluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]-(3-fluorophenyl)methanone
CID 113086869
(2,4-dichloro-5-fluorophenyl)-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 46699903
4-[4-[4-(4-fluorophenyl)piperazine-1-carbonyl]piperidine-1-carbonyl]-1-phenylpyrrolidin-2-one
CID 17118563
cyclopropyl-[4-(5-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 39545624

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(4-fluorophenyl)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(4-fluorophenyl)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one (CID 97034511) is (4R)-1-(4-fluorophenyl)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(4-fluorophenyl)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(4-fluorophenyl)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one is O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CC=C(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of (4R)-1-(4-fluorophenyl)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is NJYZTUAQPFATQP-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H22FN3O2/c25-18-5-7-19(8-6-18)28-15-17(13-23(28)29)24(30)27-11-9-16(10-12-27)21-14-26-22-4-2-1-3-20(21)22/h1-9,14,17,26H,10-13,15H2/t17-/m1/s1.
What are the key properties of (4R)-1-(4-fluorophenyl)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one?
(4R)-1-(4-fluorophenyl)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 403.46 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(4-fluorophenyl)-4-[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 97034511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).