[3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone

C15H20N6O — CID 110117008

IUPAC[3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESCN(C)Cc1cnc(C2CCN(C(=O)c3cnccn3)C2)[nH]1
InChIInChI=1S/C15H20N6O/c1-20(2)10-12-7-18-14(19-12)11-3-6-21(9-11)15(22)13-8-16-4-5-17-13/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,18,19)
InChIKeyXEAIYQAHSFOMHP-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.89
Rot. Bonds4

About [3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone

[3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 110117008) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is [3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID110117008
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name[3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESCN(C)Cc1cnc(C2CCN(C(=O)c3cnccn3)C2)[nH]1
InChIInChI=1S/C15H20N6O/c1-20(2)10-12-7-18-14(19-12)11-3-6-21(9-11)15(22)13-8-16-4-5-17-13/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,18,19)
InChIKeyXEAIYQAHSFOMHP-UHFFFAOYSA-N
XLogP0.89
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-3-[2-(dimethylamino)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95828473
pyrazin-2-yl-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95841608
[(3S)-3-[4-(dimethylamino)-6-methyl-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 124986912
[(3R)-3-[5-(2-hydroxyethyl)-1-methylpyrazol-3-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95824177
(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone
CID 86981201
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
N-[[2-[1-(2-methylpyrimidine-4-carbonyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methyl]acetamide
CID 110117016
(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71644274
N,N-dimethyl-1-[2-[(3S)-1-(1,3-thiazol-5-ylmethyl)pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine
CID 124942827
N,N-dimethyl-1-[2-[(3S)-1-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-yl]-1H-imidazol-5-yl]methanamine
CID 124963578
[3-[[2-[(dimethylamino)methyl]-4-pyridinyl]oxy]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 154761996
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 51329202

Frequently Asked Questions

What is the IUPAC name of [3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 110117008) is [3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone is CN(C)Cc1cnc(C2CCN(C(=O)c3cnccn3)C2)[nH]1.
What is the InChIKey of [3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is XEAIYQAHSFOMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-20(2)10-12-7-18-14(19-12)11-3-6-21(9-11)15(22)13-8-16-4-5-17-13/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,18,19).
What are the key properties of [3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
[3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 300.37 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 110117008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).