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

C12H15BrN4O4 — CID 139415855

IUPAC(5-bromo-3-methoxypyrazin-2-yl)methyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate
SMILESCOc1nc(Br)cnc1COC(=O)NC[C@@H]1CCC(=O)N1
InChIInChI=1S/C12H15BrN4O4/c1-20-11-8(14-5-9(13)17-11)6-21-12(19)15-4-7-2-3-10(18)16-7/h5,7H,2-4,6H2,1H3,(H,15,19)(H,16,18)/t7-/m0/s1
InChIKeyIEVVSCGDSFYTGH-ZETCQYMHSA-N
MW359.18 g/mol
LogP0.75
Rot. Bonds5

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

(5-bromo-3-methoxypyrazin-2-yl)methyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate (PubChem CID 139415855) has the molecular formula C12H15BrN4O4 and a molecular weight of 359.18 g/mol. Its IUPAC name is (5-bromo-3-methoxypyrazin-2-yl)methyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate.

Molecular Properties

Compound Name(5-bromo-3-methoxypyrazin-2-yl)methyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate
PubChem CID139415855
Molecular FormulaC12H15BrN4O4
Molecular Weight359.18 g/mol
Exact Mass358.03
IUPAC Name(5-bromo-3-methoxypyrazin-2-yl)methyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate
SMILESCOc1nc(Br)cnc1COC(=O)NC[C@@H]1CCC(=O)N1
InChIInChI=1S/C12H15BrN4O4/c1-20-11-8(14-5-9(13)17-11)6-21-12(19)15-4-7-2-3-10(18)16-7/h5,7H,2-4,6H2,1H3,(H,15,19)(H,16,18)/t7-/m0/s1
InChIKeyIEVVSCGDSFYTGH-ZETCQYMHSA-N
XLogP0.75
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.18
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-(3-bromo-2-chlorophenyl)-3-methoxypyrazin-2-yl]methyl N-[(5-oxopyrrolidin-2-yl)methyl]carbamate
CID 156822332
[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
[(2S)-5-oxopyrrolidin-2-yl]methyl N-[(6-bromo-2-methoxy-3-pyridinyl)methyl]carbamate
CID 171489847
[(2R)-5-oxopyrrolidin-2-yl]methyl N-[(2-methoxy-6-methyl-3-pyridinyl)methyl]carbamate
CID 171490138
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
[(1R)-1-[6-(3-bromo-2-chlorophenyl)-2-methoxy-3-pyridinyl]ethyl] N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate
CID 153278525
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-[[(6-methoxy-3-pyridinyl)amino]methyl]pyrrolidin-2-one
CID 107529033
(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
[8-(3-bromo-2-chlorophenyl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate
CID 166692964
(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
(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

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methoxypyrazin-2-yl)methyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate?
The IUPAC name of (5-bromo-3-methoxypyrazin-2-yl)methyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate (CID 139415855) is (5-bromo-3-methoxypyrazin-2-yl)methyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate.
What is the SMILES notation for (5-bromo-3-methoxypyrazin-2-yl)methyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate?
The canonical SMILES for (5-bromo-3-methoxypyrazin-2-yl)methyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate is COc1nc(Br)cnc1COC(=O)NC[C@@H]1CCC(=O)N1.
What is the InChIKey of (5-bromo-3-methoxypyrazin-2-yl)methyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate?
The InChIKey is IEVVSCGDSFYTGH-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H15BrN4O4/c1-20-11-8(14-5-9(13)17-11)6-21-12(19)15-4-7-2-3-10(18)16-7/h5,7H,2-4,6H2,1H3,(H,15,19)(H,16,18)/t7-/m0/s1.
What are the key properties of (5-bromo-3-methoxypyrazin-2-yl)methyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate?
(5-bromo-3-methoxypyrazin-2-yl)methyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate has a molecular weight of 359.18 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methoxypyrazin-2-yl)methyl N-[[(2S)-5-oxopyrrolidin-2-yl]methyl]carbamate is sourced from PubChem (CID 139415855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).