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

C15H20N6O — CID 118739930

IUPAC3-imidazol-1-yl-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCNc1cncc(C2CCCN2C(=O)CCn2ccnc2)n1
InChIInChI=1S/C15H20N6O/c1-16-14-10-18-9-12(19-14)13-3-2-6-21(13)15(22)4-7-20-8-5-17-11-20/h5,8-11,13H,2-4,6-7H2,1H3,(H,16,19)
InChIKeySRRBIVJNIKAZKM-UHFFFAOYSA-N
MW300.37 g/mol
LogP1.47
Rot. Bonds5

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

3-imidazol-1-yl-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one (PubChem CID 118739930) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 3-imidazol-1-yl-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-imidazol-1-yl-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
PubChem CID118739930
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name3-imidazol-1-yl-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
SMILESCNc1cncc(C2CCCN2C(=O)CCn2ccnc2)n1
InChIInChI=1S/C15H20N6O/c1-16-14-10-18-9-12(19-14)13-3-2-6-21(13)15(22)4-7-20-8-5-17-11-20/h5,8-11,13H,2-4,6-7H2,1H3,(H,16,19)
InChIKeySRRBIVJNIKAZKM-UHFFFAOYSA-N
XLogP1.47
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3-imidazol-1-yl-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one (CID 118739930) is 3-imidazol-1-yl-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3-imidazol-1-yl-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3-imidazol-1-yl-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one is CNc1cncc(C2CCCN2C(=O)CCn2ccnc2)n1.
What is the InChIKey of 3-imidazol-1-yl-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is SRRBIVJNIKAZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-16-14-10-18-9-12(19-14)13-3-2-6-21(13)15(22)4-7-20-8-5-17-11-20/h5,8-11,13H,2-4,6-7H2,1H3,(H,16,19).
What are the key properties of 3-imidazol-1-yl-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one?
3-imidazol-1-yl-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 300.37 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-1-[2-[6-(methylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 118739930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).