[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] (4-methylpiperazin-1-yl) carbonate

C17H17ClN6O4 — CID 141224309

IUPAC[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] (4-methylpiperazin-1-yl) carbonate
SMILESCN1CCN(OC(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1
InChIInChI=1S/C17H17ClN6O4/c1-22-6-8-23(9-7-22)28-17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3
InChIKeyBPIHPZPPEKKBPL-UHFFFAOYSA-N
MW404.81 g/mol
LogP1.50
Rot. Bonds3

About [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] (4-methylpiperazin-1-yl) carbonate

[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] (4-methylpiperazin-1-yl) carbonate (PubChem CID 141224309) has the molecular formula C17H17ClN6O4 and a molecular weight of 404.81 g/mol. Its IUPAC name is [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] (4-methylpiperazin-1-yl) carbonate.

Molecular Properties

Compound Name[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] (4-methylpiperazin-1-yl) carbonate
PubChem CID141224309
Molecular FormulaC17H17ClN6O4
Molecular Weight404.81 g/mol
Exact Mass404.10
IUPAC Name[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] (4-methylpiperazin-1-yl) carbonate
SMILESCN1CCN(OC(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1
InChIInChI=1S/C17H17ClN6O4/c1-22-6-8-23(9-7-22)28-17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3
InChIKeyBPIHPZPPEKKBPL-UHFFFAOYSA-N
XLogP1.50
TPSA100.99 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.81
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] (4-methylpiperazin-1-yl) carbonate with MolForge

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Related Compounds

[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;[(E)-prop-1-enyl] formate
CID 123893520
[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-carbamoylpiperazine-1-carboxylate
CID 58819949
(2R)-2-acetamido-4-methylsulfanylbutanoic acid;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate
CID 25174869
[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;3,3-diethyl-1H-pyridine-2,4-dione
CID 174805739
[(7R)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] (2-nitrophenyl) carbonate
CID 101220145
[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-methylpiperazine-1-carboxylate;2-(formyloxymethyl)-2-hydroxybutanoic acid
CID 123524375
[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 2,2,3,3,5,5,6,6-octadeuteriopiperazine-1-carboxylate
CID 45038909
(5-oxo-6-pyridin-2-yl-7H-pyrrolo[3,4-b]pyrazin-7-yl) 4-methylpiperazine-1-carboxylate
CID 131667470
[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] N-[2-(dimethylamino)ethyl]-N-ethylcarbamate
CID 147799367
[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] N-[2-(dimethylamino)ethyl]-N-ethylcarbamate
CID 156575391
[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-(3,5-dioxopiperazine-1-carbonyl)piperazine-1-carboxylate
CID 10052203
[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] 4-formylpiperazine-1-carboxylate;[(7S)-6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] piperazine-1-carboxylate
CID 160530082

Frequently Asked Questions

What is the IUPAC name of [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] (4-methylpiperazin-1-yl) carbonate?
The IUPAC name of [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] (4-methylpiperazin-1-yl) carbonate (CID 141224309) is [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] (4-methylpiperazin-1-yl) carbonate.
What is the SMILES notation for [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] (4-methylpiperazin-1-yl) carbonate?
The canonical SMILES for [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] (4-methylpiperazin-1-yl) carbonate is CN1CCN(OC(=O)OC2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1.
What is the InChIKey of [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] (4-methylpiperazin-1-yl) carbonate?
The InChIKey is BPIHPZPPEKKBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O4/c1-22-6-8-23(9-7-22)28-17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3.
What are the key properties of [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] (4-methylpiperazin-1-yl) carbonate?
[6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] (4-methylpiperazin-1-yl) carbonate has a molecular weight of 404.81 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-chloro-2-pyridinyl)-5-oxo-7H-pyrrolo[3,4-b]pyrazin-7-yl] (4-methylpiperazin-1-yl) carbonate is sourced from PubChem (CID 141224309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).