2-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one

C26H35FN4O2 — CID 45237079

IUPAC2-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one
SMILESCCc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)cc(C)n1CC1CCCN1CC
InChIInChI=1S/C26H35FN4O2/c1-4-23-25(24(32)17-19(3)31(23)18-22-7-6-12-28(22)5-2)26(33)30-15-13-29(14-16-30)21-10-8-20(27)9-11-21/h8-11,17,22H,4-7,12-16,18H2,1-3H3
InChIKeyBLQOSKHKEXVDLV-UHFFFAOYSA-N
MW454.59 g/mol
LogP3.30
Rot. Bonds6

About 2-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one

2-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one (PubChem CID 45237079) has the molecular formula C26H35FN4O2 and a molecular weight of 454.59 g/mol. Its IUPAC name is 2-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one.

Molecular Properties

Compound Name2-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one
PubChem CID45237079
Molecular FormulaC26H35FN4O2
Molecular Weight454.59 g/mol
Exact Mass454.27
IUPAC Name2-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one
SMILESCCc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)cc(C)n1CC1CCCN1CC
InChIInChI=1S/C26H35FN4O2/c1-4-23-25(24(32)17-19(3)31(23)18-22-7-6-12-28(22)5-2)26(33)30-15-13-29(14-16-30)21-10-8-20(27)9-11-21/h8-11,17,22H,4-7,12-16,18H2,1-3H3
InChIKeyBLQOSKHKEXVDLV-UHFFFAOYSA-N
XLogP3.30
TPSA48.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.59
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one with MolForge

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Related Compounds

2-ethyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-(thiophen-2-ylmethyl)pyridin-4-one
CID 42432358
2-cyclopropyl-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-[(5-methylfuran-2-yl)methyl]pyridin-4-one
CID 26361270
N-(1-benzothiophen-2-ylmethyl)-2-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-6-methyl-4-oxopyridine-3-carboxamide
CID 45213955
1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 16785578
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1-methylpyrrolidin-2-yl)ethanone
CID 110853309
5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-4,6-dimethylpyran-2-one
CID 950132
(3,5-dimethylphenyl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 912606
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 110766155
(2,5-dimethylthiophen-3-yl)-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 9207325
ethyl 4-(4-fluorophenyl)piperazine-1-carboxylate
CID 4179359
3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one
CID 8967321
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one?
The IUPAC name of 2-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one (CID 45237079) is 2-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one.
What is the SMILES notation for 2-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one?
The canonical SMILES for 2-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one is CCc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)c(=O)cc(C)n1CC1CCCN1CC.
What is the InChIKey of 2-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one?
The InChIKey is BLQOSKHKEXVDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35FN4O2/c1-4-23-25(24(32)17-19(3)31(23)18-22-7-6-12-28(22)5-2)26(33)30-15-13-29(14-16-30)21-10-8-20(27)9-11-21/h8-11,17,22H,4-7,12-16,18H2,1-3H3.
What are the key properties of 2-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one?
2-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one has a molecular weight of 454.59 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methylpyridin-4-one is sourced from PubChem (CID 45237079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).