[5-(3-bromo-2-chlorophenyl)-3-methoxypyrazin-2-yl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate

C18H18BrClN4O4 — CID 156822332

IUPAC[5-(3-bromo-2-chlorophenyl)-3-methoxypyrazin-2-yl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate
SMILESCOc1nc(-c2cccc(Br)c2Cl)cnc1COC(=O)NCC1CCC(=O)N1
InChIInChI=1S/C18H18BrClN4O4/c1-27-17-14(9-28-18(26)22-7-10-5-6-15(25)23-10)21-8-13(24-17)11-3-2-4-12(19)16(11)20/h2-4,8,10H,5-7,9H2,1H3,(H,22,26)(H,23,25)
InChIKeyQAIMFKGMCQTBBW-UHFFFAOYSA-N
MW469.72 g/mol
LogP3.07
Rot. Bonds6

About [5-(3-bromo-2-chlorophenyl)-3-methoxypyrazin-2-yl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate

[5-(3-bromo-2-chlorophenyl)-3-methoxypyrazin-2-yl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate (PubChem CID 156822332) has the molecular formula C18H18BrClN4O4 and a molecular weight of 469.72 g/mol. Its IUPAC name is [5-(3-bromo-2-chlorophenyl)-3-methoxypyrazin-2-yl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate.

Molecular Properties

Compound Name[5-(3-bromo-2-chlorophenyl)-3-methoxypyrazin-2-yl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate
PubChem CID156822332
Molecular FormulaC18H18BrClN4O4
Molecular Weight469.72 g/mol
Exact Mass468.02
IUPAC Name[5-(3-bromo-2-chlorophenyl)-3-methoxypyrazin-2-yl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate
SMILESCOc1nc(-c2cccc(Br)c2Cl)cnc1COC(=O)NCC1CCC(=O)N1
InChIInChI=1S/C18H18BrClN4O4/c1-27-17-14(9-28-18(26)22-7-10-5-6-15(25)23-10)21-8-13(24-17)11-3-2-4-12(19)16(11)20/h2-4,8,10H,5-7,9H2,1H3,(H,22,26)(H,23,25)
InChIKeyQAIMFKGMCQTBBW-UHFFFAOYSA-N
XLogP3.07
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.72
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [5-(3-bromo-2-chlorophenyl)-3-methoxypyrazin-2-yl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate 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

[5-[2-chloro-3-[2-chloro-3-[5-[(2,5-dimethylpyrrol-1-yl)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate
CID 139451488
(5-bromo-3-methoxypyrazin-2-yl)methyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate
CID 139415855
[(1R)-1-[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]ethyl] N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate
CID 153278525
(5S)-5-[[[5-[2-chloro-3-[2-chloro-3-[5-[(cyclopentylmethylamino)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
CID 170232090
2-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]-N-methylacetamide
CID 139430386
5-[[[5-[2-bromo-3-[2-bromo-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
CID 170231575
(5S)-5-[[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(3R)-5-oxopyrrolidin-3-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
CID 139429908
(3R)-3-[[5-[2-chloro-3-[2-chloro-3-[6-methoxy-5-[[[(2S)-5-oxopyrrolidin-2-yl]methylamino]methyl]pyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]cyclopentane-1-carboxamide
CID 139457687
5-[[[5-[2-chloro-3-[2-chloro-3-[5-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
CID 170233047
5-[[[5-[2-chloro-3-[2-chloro-3-[5-[(4-hydroxypent-4-enylamino)methyl]-6-methoxypyrazin-2-yl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
CID 170233913
5-[[[5-[2-chloro-3-[2-chloro-3-[5-[(cyclobutylmethylamino)methyl]-6-methoxy-4-methyl-2-pyridinyl]phenyl]phenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
CID 170234644
5-[[[5-[3-[3-[5-(azetidin-1-ylmethyl)-6-methoxypyrazin-2-yl]-2-chlorophenyl]-2-chlorophenyl]-3-methoxypyrazin-2-yl]methylamino]methyl]pyrrolidin-2-one
CID 170232703

Frequently Asked Questions

What is the IUPAC name of [5-(3-bromo-2-chlorophenyl)-3-methoxypyrazin-2-yl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate?
The IUPAC name of [5-(3-bromo-2-chlorophenyl)-3-methoxypyrazin-2-yl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate (CID 156822332) is [5-(3-bromo-2-chlorophenyl)-3-methoxypyrazin-2-yl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate.
What is the SMILES notation for [5-(3-bromo-2-chlorophenyl)-3-methoxypyrazin-2-yl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate?
The canonical SMILES for [5-(3-bromo-2-chlorophenyl)-3-methoxypyrazin-2-yl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate is COc1nc(-c2cccc(Br)c2Cl)cnc1COC(=O)NCC1CCC(=O)N1.
What is the InChIKey of [5-(3-bromo-2-chlorophenyl)-3-methoxypyrazin-2-yl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate?
The InChIKey is QAIMFKGMCQTBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrClN4O4/c1-27-17-14(9-28-18(26)22-7-10-5-6-15(25)23-10)21-8-13(24-17)11-3-2-4-12(19)16(11)20/h2-4,8,10H,5-7,9H2,1H3,(H,22,26)(H,23,25).
What are the key properties of [5-(3-bromo-2-chlorophenyl)-3-methoxypyrazin-2-yl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate?
[5-(3-bromo-2-chlorophenyl)-3-methoxypyrazin-2-yl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate has a molecular weight of 469.72 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-bromo-2-chlorophenyl)-3-methoxypyrazin-2-yl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate is sourced from PubChem (CID 156822332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).