1-[6-bromo-4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]piperidine-4-carboxamide

C17H18BrFN4O2 — CID 146243025

IUPAC1-[6-bromo-4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(Br)cn(Cc3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C17H18BrFN4O2/c18-14-10-23(9-11-1-3-13(19)4-2-11)17(25)16(21-14)22-7-5-12(6-8-22)15(20)24/h1-4,10,12H,5-9H2,(H2,20,24)
InChIKeyLYHBAZCMRGRZOJ-UHFFFAOYSA-N
MW409.26 g/mol
LogP1.89
Rot. Bonds4

About 1-[6-bromo-4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]piperidine-4-carboxamide

1-[6-bromo-4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]piperidine-4-carboxamide (PubChem CID 146243025) has the molecular formula C17H18BrFN4O2 and a molecular weight of 409.26 g/mol. Its IUPAC name is 1-[6-bromo-4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-bromo-4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]piperidine-4-carboxamide
PubChem CID146243025
Molecular FormulaC17H18BrFN4O2
Molecular Weight409.26 g/mol
Exact Mass408.06
IUPAC Name1-[6-bromo-4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2nc(Br)cn(Cc3ccc(F)cc3)c2=O)CC1
InChIInChI=1S/C17H18BrFN4O2/c18-14-10-23(9-11-1-3-13(19)4-2-11)17(25)16(21-14)22-7-5-12(6-8-22)15(20)24/h1-4,10,12H,5-9H2,(H2,20,24)
InChIKeyLYHBAZCMRGRZOJ-UHFFFAOYSA-N
XLogP1.89
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[6-bromo-4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Cyclopropyl-5-{[4-(2-fluorobenzyl)piperazin-1-yl]carbonyl}pyrimidin-4-ol
CID 70759546
3-[(1-benzylpiperidin-4-yl)amino]-1H-pyrazin-2-one
CID 59830278
1-[(4-Fluorophenyl)methyl]-3-[(4-fluorophenyl)methylamino]pyrazin-2-one
CID 46337606
N-allyl-1-(2-amino-2-oxoethyl)-N-(4-fluorobenzyl)piperidine-4-carboxamide
CID 50950236
3-Piperazin-1-yl-1-[(2,4,5-trifluorophenyl)methyl]pyrazin-2-one
CID 10245675
3-Piperazin-1-yl-1-[3-(2,4,5-trifluorophenyl)propyl]pyrazin-2-one
CID 11725547
(2R)-N-[4-[2-[bis(2-phenylethyl)amino]-2-oxoethyl]-5-(4-fluorophenyl)-3-oxopyrazin-2-yl]-2-methylbutanamide
CID 58581539
(2S)-N-[5-(4-fluorophenyl)-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopyrazin-2-yl]-2-(methylamino)propanamide
CID 58581595
N-[5-(4-fluorophenyl)-4-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxopyrazin-2-yl]-2-(methylamino)propanamide
CID 67317864
N'-Benzyl-4-(4-fluorobenzyl)-3-oxopiperazine-1-carboximidamide
CID 68432646
(2S)-N-[4-[2-(1,4-dihydroisoindol-2-yl)-2-oxoethyl]-5-(4-fluorophenyl)-3-oxopyrazin-2-yl]-2-(methylamino)propanamide
CID 68806558
1-(2,4,5-Trifluorobenzyl)-3-(4-tert-butoxycarbonyl-1-piperazinyl)-2(1h)-pyrazinone
CID 69366630

Frequently Asked Questions

What is the IUPAC name of 1-[6-bromo-4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-bromo-4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]piperidine-4-carboxamide (CID 146243025) is 1-[6-bromo-4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-bromo-4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-bromo-4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]piperidine-4-carboxamide is NC(=O)C1CCN(c2nc(Br)cn(Cc3ccc(F)cc3)c2=O)CC1.
What is the InChIKey of 1-[6-bromo-4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]piperidine-4-carboxamide?
The InChIKey is LYHBAZCMRGRZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN4O2/c18-14-10-23(9-11-1-3-13(19)4-2-11)17(25)16(21-14)22-7-5-12(6-8-22)15(20)24/h1-4,10,12H,5-9H2,(H2,20,24).
What are the key properties of 1-[6-bromo-4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]piperidine-4-carboxamide?
1-[6-bromo-4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]piperidine-4-carboxamide has a molecular weight of 409.26 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-bromo-4-[(4-fluorophenyl)methyl]-3-oxopyrazin-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 146243025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).