[(2S)-2-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone

C20H22N6O — CID 95839096

IUPAC[(2S)-2-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESCC(C)c1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2cnccn2)n1
InChIInChI=1S/C20H22N6O/c1-14(2)19-23-10-12-26(19)18-7-3-5-15(24-18)17-6-4-11-25(17)20(27)16-13-21-8-9-22-16/h3,5,7-10,12-14,17H,4,6,11H2,1-2H3/t17-/m0/s1
InChIKeyASZIRHZGWCRRRZ-KRWDZBQOSA-N
MW362.44 g/mol
LogP3.16
Rot. Bonds4

About [(2S)-2-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone

[(2S)-2-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 95839096) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is [(2S)-2-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(2S)-2-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID95839096
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name[(2S)-2-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
SMILESCC(C)c1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2cnccn2)n1
InChIInChI=1S/C20H22N6O/c1-14(2)19-23-10-12-26(19)18-7-3-5-15(24-18)17-6-4-11-25(17)20(27)16-13-21-8-9-22-16/h3,5,7-10,12-14,17H,4,6,11H2,1-2H3/t17-/m0/s1
InChIKeyASZIRHZGWCRRRZ-KRWDZBQOSA-N
XLogP3.16
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(2S)-2-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone (CID 95839096) is [(2S)-2-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(2S)-2-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(2S)-2-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone is CC(C)c1nccn1-c1cccc([C@@H]2CCCN2C(=O)c2cnccn2)n1.
What is the InChIKey of [(2S)-2-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is ASZIRHZGWCRRRZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H22N6O/c1-14(2)19-23-10-12-26(19)18-7-3-5-15(24-18)17-6-4-11-25(17)20(27)16-13-21-8-9-22-16/h3,5,7-10,12-14,17H,4,6,11H2,1-2H3/t17-/m0/s1.
What are the key properties of [(2S)-2-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone?
[(2S)-2-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 362.44 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 95839096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).