3-methoxy-5-methyl-7-(1-methylpiperazin-2-yl)pyrrolo[2,3-b]pyrazine

C13H19N5O — CID 82666157

IUPAC3-methoxy-5-methyl-7-(1-methylpiperazin-2-yl)pyrrolo[2,3-b]pyrazine
SMILESCOc1cnc2c(C3CNCCN3C)cn(C)c2n1
InChIInChI=1S/C13H19N5O/c1-17-5-4-14-6-10(17)9-8-18(2)13-12(9)15-7-11(16-13)19-3/h7-8,10,14H,4-6H2,1-3H3
InChIKeyVMRKFQCGOYXWDC-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.55
Rot. Bonds2

About 3-methoxy-5-methyl-7-(1-methylpiperazin-2-yl)pyrrolo[2,3-b]pyrazine

3-methoxy-5-methyl-7-(1-methylpiperazin-2-yl)pyrrolo[2,3-b]pyrazine (PubChem CID 82666157) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 3-methoxy-5-methyl-7-(1-methylpiperazin-2-yl)pyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name3-methoxy-5-methyl-7-(1-methylpiperazin-2-yl)pyrrolo[2,3-b]pyrazine
PubChem CID82666157
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name3-methoxy-5-methyl-7-(1-methylpiperazin-2-yl)pyrrolo[2,3-b]pyrazine
SMILESCOc1cnc2c(C3CNCCN3C)cn(C)c2n1
InChIInChI=1S/C13H19N5O/c1-17-5-4-14-6-10(17)9-8-18(2)13-12(9)15-7-11(16-13)19-3/h7-8,10,14H,4-6H2,1-3H3
InChIKeyVMRKFQCGOYXWDC-UHFFFAOYSA-N
XLogP0.55
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxy-2,5-dimethylphenyl)-1-methylpiperazine
CID 82083204
1-methyl-2-(5-methyl-1H-imidazol-2-yl)piperazine
CID 116881081
6-chloro-1-methyl-3-(1-methylpiperazin-2-yl)indole
CID 82666808
7-isocyanato-3-methoxy-5-methylpyrrolo[2,3-b]pyrazine
CID 83916302
(2R)-1-methyl-2-pyridin-4-ylpiperazine
CID 28804916
1,5,7-trimethyl-3-(1-methylpiperazin-2-yl)indole
CID 84636743
2-methoxy-5-methyl-7-(2-methylpyrrolidin-2-yl)pyrrolo[2,3-b]pyrazine
CID 82665045
(2S)-2-(2-fluorophenyl)-1-methylpiperazine
CID 28804930
5-[(4-methoxyphenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120959693
(2S)-2-(1H-imidazol-2-yl)-1-methylpiperazine
CID 96902399
2-methoxy-7-(4-methyl-1,4-diazepan-5-yl)-5H-pyrrolo[3,2-d]pyrimidine
CID 82666177
5-[(4-methoxyphenoxy)methyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole;hydrochloride
CID 120959692

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-methyl-7-(1-methylpiperazin-2-yl)pyrrolo[2,3-b]pyrazine?
The IUPAC name of 3-methoxy-5-methyl-7-(1-methylpiperazin-2-yl)pyrrolo[2,3-b]pyrazine (CID 82666157) is 3-methoxy-5-methyl-7-(1-methylpiperazin-2-yl)pyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 3-methoxy-5-methyl-7-(1-methylpiperazin-2-yl)pyrrolo[2,3-b]pyrazine?
The canonical SMILES for 3-methoxy-5-methyl-7-(1-methylpiperazin-2-yl)pyrrolo[2,3-b]pyrazine is COc1cnc2c(C3CNCCN3C)cn(C)c2n1.
What is the InChIKey of 3-methoxy-5-methyl-7-(1-methylpiperazin-2-yl)pyrrolo[2,3-b]pyrazine?
The InChIKey is VMRKFQCGOYXWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-17-5-4-14-6-10(17)9-8-18(2)13-12(9)15-7-11(16-13)19-3/h7-8,10,14H,4-6H2,1-3H3.
What are the key properties of 3-methoxy-5-methyl-7-(1-methylpiperazin-2-yl)pyrrolo[2,3-b]pyrazine?
3-methoxy-5-methyl-7-(1-methylpiperazin-2-yl)pyrrolo[2,3-b]pyrazine has a molecular weight of 261.33 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-methyl-7-(1-methylpiperazin-2-yl)pyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 82666157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).