2-[[6,7-dichloro-2-(pyrazine-2-carbonyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetonitrile

C21H19Cl2N7O2 — CID 170795267

IUPAC2-[[6,7-dichloro-2-(pyrazine-2-carbonyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetonitrile
SMILESN#CCOc1cc(Cl)c(Cl)c2c1c(C1CNNC1)c1n2CCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C21H19Cl2N7O2/c22-13-7-16(32-6-1-24)18-17(12-8-27-28-9-12)15-11-29(4-5-30(15)20(18)19(13)23)21(31)14-10-25-2-3-26-14/h2-3,7,10,12,27-28H,4-6,8-9,11H2
InChIKeyMBGVMEVOXGOADE-UHFFFAOYSA-N
MW472.34 g/mol
LogP2.49
Rot. Bonds4

About 2-[[6,7-dichloro-2-(pyrazine-2-carbonyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetonitrile

2-[[6,7-dichloro-2-(pyrazine-2-carbonyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetonitrile (PubChem CID 170795267) has the molecular formula C21H19Cl2N7O2 and a molecular weight of 472.34 g/mol. Its IUPAC name is 2-[[6,7-dichloro-2-(pyrazine-2-carbonyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetonitrile.

Molecular Properties

Compound Name2-[[6,7-dichloro-2-(pyrazine-2-carbonyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetonitrile
PubChem CID170795267
Molecular FormulaC21H19Cl2N7O2
Molecular Weight472.34 g/mol
Exact Mass471.10
IUPAC Name2-[[6,7-dichloro-2-(pyrazine-2-carbonyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetonitrile
SMILESN#CCOc1cc(Cl)c(Cl)c2c1c(C1CNNC1)c1n2CCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C21H19Cl2N7O2/c22-13-7-16(32-6-1-24)18-17(12-8-27-28-9-12)15-11-29(4-5-30(15)20(18)19(13)23)21(31)14-10-25-2-3-26-14/h2-3,7,10,12,27-28H,4-6,8-9,11H2
InChIKeyMBGVMEVOXGOADE-UHFFFAOYSA-N
XLogP2.49
TPSA108.10 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.34
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[[6,7-dichloro-2-(pyrazine-2-carbonyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetonitrile with MolForge

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Related Compounds

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CID 170427090
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CID 170427201
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CID 170427300
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CID 170427570
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CID 170428146
US20230391786, Example 136
CID 170795234

Frequently Asked Questions

What is the IUPAC name of 2-[[6,7-dichloro-2-(pyrazine-2-carbonyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetonitrile?
The IUPAC name of 2-[[6,7-dichloro-2-(pyrazine-2-carbonyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetonitrile (CID 170795267) is 2-[[6,7-dichloro-2-(pyrazine-2-carbonyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetonitrile.
What is the SMILES notation for 2-[[6,7-dichloro-2-(pyrazine-2-carbonyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetonitrile?
The canonical SMILES for 2-[[6,7-dichloro-2-(pyrazine-2-carbonyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetonitrile is N#CCOc1cc(Cl)c(Cl)c2c1c(C1CNNC1)c1n2CCN(C(=O)c2cnccn2)C1.
What is the InChIKey of 2-[[6,7-dichloro-2-(pyrazine-2-carbonyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetonitrile?
The InChIKey is MBGVMEVOXGOADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N7O2/c22-13-7-16(32-6-1-24)18-17(12-8-27-28-9-12)15-11-29(4-5-30(15)20(18)19(13)23)21(31)14-10-25-2-3-26-14/h2-3,7,10,12,27-28H,4-6,8-9,11H2.
What are the key properties of 2-[[6,7-dichloro-2-(pyrazine-2-carbonyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetonitrile?
2-[[6,7-dichloro-2-(pyrazine-2-carbonyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetonitrile has a molecular weight of 472.34 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6,7-dichloro-2-(pyrazine-2-carbonyl)-10-pyrazolidin-4-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetonitrile is sourced from PubChem (CID 170795267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).