(3R)-3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methylpyrrolidin-2-one

C24H29FN4O2 — CID 141370594

IUPAC(3R)-3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methylpyrrolidin-2-one
SMILESCCc1cnc(N2CCN(C(=O)c3ccc([C@@H]4C(=O)NCC4C)cc3F)CC2)c(C)c1
InChIInChI=1S/C24H29FN4O2/c1-4-17-11-15(2)22(26-14-17)28-7-9-29(10-8-28)24(31)19-6-5-18(12-20(19)25)21-16(3)13-27-23(21)30/h5-6,11-12,14,16,21H,4,7-10,13H2,1-3H3,(H,27,30)/t16?,21-/m1/s1
InChIKeyITMFEMKINYUNFL-CAWMZFRYSA-N
MW424.52 g/mol
LogP2.90
Rot. Bonds4

About (3R)-3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methylpyrrolidin-2-one

(3R)-3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methylpyrrolidin-2-one (PubChem CID 141370594) has the molecular formula C24H29FN4O2 and a molecular weight of 424.52 g/mol. Its IUPAC name is (3R)-3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methylpyrrolidin-2-one
PubChem CID141370594
Molecular FormulaC24H29FN4O2
Molecular Weight424.52 g/mol
Exact Mass424.23
IUPAC Name(3R)-3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methylpyrrolidin-2-one
SMILESCCc1cnc(N2CCN(C(=O)c3ccc([C@@H]4C(=O)NCC4C)cc3F)CC2)c(C)c1
InChIInChI=1S/C24H29FN4O2/c1-4-17-11-15(2)22(26-14-17)28-7-9-29(10-8-28)24(31)19-6-5-18(12-20(19)25)21-16(3)13-27-23(21)30/h5-6,11-12,14,16,21H,4,7-10,13H2,1-3H3,(H,27,30)/t16?,21-/m1/s1
InChIKeyITMFEMKINYUNFL-CAWMZFRYSA-N
XLogP2.90
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methylpyrrolidin-2-one with MolForge

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Related Compounds

(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methylpyrrolidin-2-one
CID 141370606
(3R)-3-[4-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylphenyl]-4-ethylpyrrolidin-2-one
CID 141370707
(3R)-3-[4-[4-(3-ethyl-5-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methylpyrrolidin-2-one
CID 141370941
1-acetyl-3-[2-[4-(3,5-dimethyl-2-pyridinyl)piperazine-1-carbonyl]-5-[(3R)-4-methyl-2-oxopyrrolidin-3-yl]phenyl]imidazolidin-2-one
CID 141370817
3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 58484633
(3R)-4-methyl-3-[4-[4-(3-methyl-5-propan-2-yl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one;hydrochloride
CID 141370952
3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 141265346
1-acetyl-3-[2-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-5-[(3R)-4-methyl-2-oxopyrrolidin-3-yl]phenyl]imidazolidin-2-one
CID 141370658
3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one
CID 141370863
(3R)-3-[4-[4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]phenyl]-4-methylpyrrolidin-2-one;hydrochloride
CID 141370811
3-[4-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]pyrrolidin-2-one;hydrochloride
CID 141370862
(3R)-3-[4-[4-(3,5-dicyclopropyl-2-pyridinyl)piperazine-1-carbonyl]-3-methylsulfonylphenyl]-4-methylpyrrolidin-2-one;hydrochloride
CID 141370680

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methylpyrrolidin-2-one?
The IUPAC name of (3R)-3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methylpyrrolidin-2-one (CID 141370594) is (3R)-3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methylpyrrolidin-2-one.
What is the SMILES notation for (3R)-3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methylpyrrolidin-2-one?
The canonical SMILES for (3R)-3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methylpyrrolidin-2-one is CCc1cnc(N2CCN(C(=O)c3ccc([C@@H]4C(=O)NCC4C)cc3F)CC2)c(C)c1.
What is the InChIKey of (3R)-3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methylpyrrolidin-2-one?
The InChIKey is ITMFEMKINYUNFL-CAWMZFRYSA-N. The full InChI is InChI=1S/C24H29FN4O2/c1-4-17-11-15(2)22(26-14-17)28-7-9-29(10-8-28)24(31)19-6-5-18(12-20(19)25)21-16(3)13-27-23(21)30/h5-6,11-12,14,16,21H,4,7-10,13H2,1-3H3,(H,27,30)/t16?,21-/m1/s1.
What are the key properties of (3R)-3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methylpyrrolidin-2-one?
(3R)-3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methylpyrrolidin-2-one has a molecular weight of 424.52 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-4-methylpyrrolidin-2-one is sourced from PubChem (CID 141370594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).