1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one

C18H26N6O — CID 118739949

IUPAC1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
SMILESCNc1cncc(C2CCCN2C(=O)CCn2ccnc2C(C)C)n1
InChIInChI=1S/C18H26N6O/c1-13(2)18-21-7-10-23(18)9-6-17(25)24-8-4-5-15(24)14-11-20-12-16(19-3)22-14/h7,10-13,15H,4-6,8-9H2,1-3H3,(H,19,22)
InChIKeyCAIXTIVKHMHRIY-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.59
Rot. Bonds6

About 1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one

1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one (PubChem CID 118739949) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
PubChem CID118739949
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one
SMILESCNc1cncc(C2CCCN2C(=O)CCn2ccnc2C(C)C)n1
InChIInChI=1S/C18H26N6O/c1-13(2)18-21-7-10-23(18)9-6-17(25)24-8-4-5-15(24)14-11-20-12-16(19-3)22-14/h7,10-13,15H,4-6,8-9H2,1-3H3,(H,19,22)
InChIKeyCAIXTIVKHMHRIY-UHFFFAOYSA-N
XLogP2.59
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The IUPAC name of 1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one (CID 118739949) is 1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The canonical SMILES for 1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one is CNc1cncc(C2CCCN2C(=O)CCn2ccnc2C(C)C)n1.
What is the InChIKey of 1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one?
The InChIKey is CAIXTIVKHMHRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-13(2)18-21-7-10-23(18)9-6-17(25)24-8-4-5-15(24)14-11-20-12-16(19-3)22-14/h7,10-13,15H,4-6,8-9H2,1-3H3,(H,19,22).
What are the key properties of 1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one?
1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one has a molecular weight of 342.45 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]-3-(2-propan-2-ylimidazol-1-yl)propan-1-one is sourced from PubChem (CID 118739949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).