2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(6H-pyrrolo[1,2-a]pyrazin-2-yl)butanenitrile

C25H34N4 — CID 54286615

IUPAC2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(6H-pyrrolo[1,2-a]pyrazin-2-yl)butanenitrile
SMILESCC(C)N(CCC(C#N)(CCN1C=CN2CC=CC2=C1)c1ccccc1)C(C)C
InChIInChI=1S/C25H34N4/c1-21(2)29(22(3)4)16-13-25(20-26,23-9-6-5-7-10-23)12-15-27-17-18-28-14-8-11-24(28)19-27/h5-11,17-19,21-22H,12-16H2,1-4H3
InChIKeyRUOBEAPHPDOBKA-UHFFFAOYSA-N
MW390.58 g/mol
LogP4.85
Rot. Bonds9

About 2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(6H-pyrrolo[1,2-a]pyrazin-2-yl)butanenitrile

2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(6H-pyrrolo[1,2-a]pyrazin-2-yl)butanenitrile (PubChem CID 54286615) has the molecular formula C25H34N4 and a molecular weight of 390.58 g/mol. Its IUPAC name is 2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(6H-pyrrolo[1,2-a]pyrazin-2-yl)butanenitrile.

Molecular Properties

Compound Name2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(6H-pyrrolo[1,2-a]pyrazin-2-yl)butanenitrile
PubChem CID54286615
Molecular FormulaC25H34N4
Molecular Weight390.58 g/mol
Exact Mass390.28
IUPAC Name2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(6H-pyrrolo[1,2-a]pyrazin-2-yl)butanenitrile
SMILESCC(C)N(CCC(C#N)(CCN1C=CN2CC=CC2=C1)c1ccccc1)C(C)C
InChIInChI=1S/C25H34N4/c1-21(2)29(22(3)4)16-13-25(20-26,23-9-6-5-7-10-23)12-15-27-17-18-28-14-8-11-24(28)19-27/h5-11,17-19,21-22H,12-16H2,1-4H3
InChIKeyRUOBEAPHPDOBKA-UHFFFAOYSA-N
XLogP4.85
TPSA33.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.58
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(6H-pyrrolo[1,2-a]pyrazin-2-yl)butanenitrile?
The IUPAC name of 2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(6H-pyrrolo[1,2-a]pyrazin-2-yl)butanenitrile (CID 54286615) is 2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(6H-pyrrolo[1,2-a]pyrazin-2-yl)butanenitrile.
What is the SMILES notation for 2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(6H-pyrrolo[1,2-a]pyrazin-2-yl)butanenitrile?
The canonical SMILES for 2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(6H-pyrrolo[1,2-a]pyrazin-2-yl)butanenitrile is CC(C)N(CCC(C#N)(CCN1C=CN2CC=CC2=C1)c1ccccc1)C(C)C.
What is the InChIKey of 2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(6H-pyrrolo[1,2-a]pyrazin-2-yl)butanenitrile?
The InChIKey is RUOBEAPHPDOBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4/c1-21(2)29(22(3)4)16-13-25(20-26,23-9-6-5-7-10-23)12-15-27-17-18-28-14-8-11-24(28)19-27/h5-11,17-19,21-22H,12-16H2,1-4H3.
What are the key properties of 2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(6H-pyrrolo[1,2-a]pyrazin-2-yl)butanenitrile?
2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(6H-pyrrolo[1,2-a]pyrazin-2-yl)butanenitrile has a molecular weight of 390.58 g/mol, XLogP of 4.85, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[di(propan-2-yl)amino]ethyl]-2-phenyl-4-(6H-pyrrolo[1,2-a]pyrazin-2-yl)butanenitrile is sourced from PubChem (CID 54286615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).