(5-oxo-6-pyridin-2-yl-7H-pyrrolo[3,4-b]pyrazin-7-yl) 4-methylpiperazine-1-carboxylate

C17H18N6O3 — CID 131667470

IUPAC(5-oxo-6-pyridin-2-yl-7H-pyrrolo[3,4-b]pyrazin-7-yl) 4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccccn2)CC1
InChIInChI=1S/C17H18N6O3/c1-21-8-10-22(11-9-21)17(25)26-16-14-13(19-6-7-20-14)15(24)23(16)12-4-2-3-5-18-12/h2-7,16H,8-11H2,1H3
InChIKeyUBNVOZOBTKAVFO-UHFFFAOYSA-N
MW354.37 g/mol
LogP0.91
Rot. Bonds2

About (5-oxo-6-pyridin-2-yl-7H-pyrrolo[3,4-b]pyrazin-7-yl) 4-methylpiperazine-1-carboxylate

(5-oxo-6-pyridin-2-yl-7H-pyrrolo[3,4-b]pyrazin-7-yl) 4-methylpiperazine-1-carboxylate (PubChem CID 131667470) has the molecular formula C17H18N6O3 and a molecular weight of 354.37 g/mol. Its IUPAC name is (5-oxo-6-pyridin-2-yl-7H-pyrrolo[3,4-b]pyrazin-7-yl) 4-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Name(5-oxo-6-pyridin-2-yl-7H-pyrrolo[3,4-b]pyrazin-7-yl) 4-methylpiperazine-1-carboxylate
PubChem CID131667470
Molecular FormulaC17H18N6O3
Molecular Weight354.37 g/mol
Exact Mass354.14
IUPAC Name(5-oxo-6-pyridin-2-yl-7H-pyrrolo[3,4-b]pyrazin-7-yl) 4-methylpiperazine-1-carboxylate
SMILESCN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccccn2)CC1
InChIInChI=1S/C17H18N6O3/c1-21-8-10-22(11-9-21)17(25)26-16-14-13(19-6-7-20-14)15(24)23(16)12-4-2-3-5-18-12/h2-7,16H,8-11H2,1H3
InChIKeyUBNVOZOBTKAVFO-UHFFFAOYSA-N
XLogP0.91
TPSA91.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 969472
Zopiclone
CID 5735
(5R)-Zopiclone
CID 941731
Zopiclone N-oxide
CID 162548
N-Desmethylzopiclone
CID 162892
Ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate
CID 743829
ethyl 4-(pyridin-2-ylcarbamoyl)-1H-imidazole-5-carboxylate
CID 604410
Imidazo[1,2-a]pyridine-3-carboxylic acid,2-[1-(ethoxycarbonyl)-4-piperidinyl]-,ethyl ester
CID 5307178
Ethyl 1-{[8-methyl-2-(4-morpholinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-4-piperidinecarboxylate
CID 24790567
Theophylline, 7-(2-hydroxy-3-(N-(2-hydroxyethyl)-N-methylamino)propyl)-, dinicotinate (ester)
CID 206293
2-[(4-Cyclohexyl-1-piperazinyl)carbonyl]-3-[(3-methoxy-1-piperidinyl)methyl]imidazo[1,2-a]pyridine
CID 24817792
7-Theophyllineethanol, alpha-(N-methylnicotinamidomethyl)-, nicotinate (ester)
CID 3040270

Frequently Asked Questions

What is the IUPAC name of (5-oxo-6-pyridin-2-yl-7H-pyrrolo[3,4-b]pyrazin-7-yl) 4-methylpiperazine-1-carboxylate?
The IUPAC name of (5-oxo-6-pyridin-2-yl-7H-pyrrolo[3,4-b]pyrazin-7-yl) 4-methylpiperazine-1-carboxylate (CID 131667470) is (5-oxo-6-pyridin-2-yl-7H-pyrrolo[3,4-b]pyrazin-7-yl) 4-methylpiperazine-1-carboxylate.
What is the SMILES notation for (5-oxo-6-pyridin-2-yl-7H-pyrrolo[3,4-b]pyrazin-7-yl) 4-methylpiperazine-1-carboxylate?
The canonical SMILES for (5-oxo-6-pyridin-2-yl-7H-pyrrolo[3,4-b]pyrazin-7-yl) 4-methylpiperazine-1-carboxylate is CN1CCN(C(=O)OC2c3nccnc3C(=O)N2c2ccccn2)CC1.
What is the InChIKey of (5-oxo-6-pyridin-2-yl-7H-pyrrolo[3,4-b]pyrazin-7-yl) 4-methylpiperazine-1-carboxylate?
The InChIKey is UBNVOZOBTKAVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3/c1-21-8-10-22(11-9-21)17(25)26-16-14-13(19-6-7-20-14)15(24)23(16)12-4-2-3-5-18-12/h2-7,16H,8-11H2,1H3.
What are the key properties of (5-oxo-6-pyridin-2-yl-7H-pyrrolo[3,4-b]pyrazin-7-yl) 4-methylpiperazine-1-carboxylate?
(5-oxo-6-pyridin-2-yl-7H-pyrrolo[3,4-b]pyrazin-7-yl) 4-methylpiperazine-1-carboxylate has a molecular weight of 354.37 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxo-6-pyridin-2-yl-7H-pyrrolo[3,4-b]pyrazin-7-yl) 4-methylpiperazine-1-carboxylate is sourced from PubChem (CID 131667470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).