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

C20H19Cl2N7O — CID 170795251

IUPAC2-[(6,7-dichloro-10-pyrazolidin-4-yl-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl)oxy]acetonitrile
SMILESN#CCOc1cc(Cl)c(Cl)c2c1c(C1CNNC1)c1n2CCN(c2ncccn2)C1
InChIInChI=1S/C20H19Cl2N7O/c21-13-8-15(30-7-2-23)17-16(12-9-26-27-10-12)14-11-28(20-24-3-1-4-25-20)5-6-29(14)19(17)18(13)22/h1,3-4,8,12,26-27H,5-7,9-11H2
InChIKeyYFFIDQNPVOCQEN-UHFFFAOYSA-N
MW444.33 g/mol
LogP2.85
Rot. Bonds4

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

2-[(6,7-dichloro-10-pyrazolidin-4-yl-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl)oxy]acetonitrile (PubChem CID 170795251) has the molecular formula C20H19Cl2N7O and a molecular weight of 444.33 g/mol. Its IUPAC name is 2-[(6,7-dichloro-10-pyrazolidin-4-yl-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl)oxy]acetonitrile.

Molecular Properties

Compound Name2-[(6,7-dichloro-10-pyrazolidin-4-yl-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl)oxy]acetonitrile
PubChem CID170795251
Molecular FormulaC20H19Cl2N7O
Molecular Weight444.33 g/mol
Exact Mass443.10
IUPAC Name2-[(6,7-dichloro-10-pyrazolidin-4-yl-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl)oxy]acetonitrile
SMILESN#CCOc1cc(Cl)c(Cl)c2c1c(C1CNNC1)c1n2CCN(c2ncccn2)C1
InChIInChI=1S/C20H19Cl2N7O/c21-13-8-15(30-7-2-23)17-16(12-9-26-27-10-12)14-11-28(20-24-3-1-4-25-20)5-6-29(14)19(17)18(13)22/h1,3-4,8,12,26-27H,5-7,9-11H2
InChIKeyYFFIDQNPVOCQEN-UHFFFAOYSA-N
XLogP2.85
TPSA91.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.33
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(6,7-dichloro-10-pyrazolidin-4-yl-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl)oxy]acetonitrile?
The IUPAC name of 2-[(6,7-dichloro-10-pyrazolidin-4-yl-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl)oxy]acetonitrile (CID 170795251) is 2-[(6,7-dichloro-10-pyrazolidin-4-yl-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl)oxy]acetonitrile.
What is the SMILES notation for 2-[(6,7-dichloro-10-pyrazolidin-4-yl-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl)oxy]acetonitrile?
The canonical SMILES for 2-[(6,7-dichloro-10-pyrazolidin-4-yl-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl)oxy]acetonitrile is N#CCOc1cc(Cl)c(Cl)c2c1c(C1CNNC1)c1n2CCN(c2ncccn2)C1.
What is the InChIKey of 2-[(6,7-dichloro-10-pyrazolidin-4-yl-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl)oxy]acetonitrile?
The InChIKey is YFFIDQNPVOCQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N7O/c21-13-8-15(30-7-2-23)17-16(12-9-26-27-10-12)14-11-28(20-24-3-1-4-25-20)5-6-29(14)19(17)18(13)22/h1,3-4,8,12,26-27H,5-7,9-11H2.
What are the key properties of 2-[(6,7-dichloro-10-pyrazolidin-4-yl-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl)oxy]acetonitrile?
2-[(6,7-dichloro-10-pyrazolidin-4-yl-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl)oxy]acetonitrile has a molecular weight of 444.33 g/mol, XLogP of 2.85, 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-10-pyrazolidin-4-yl-2-pyrimidin-2-yl-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl)oxy]acetonitrile is sourced from PubChem (CID 170795251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).