[2-[6-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone

C17H16N6O — CID 110099796

IUPAC[2-[6-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCCC1c1cncc(-c2ncc[nH]2)n1
InChIInChI=1S/C17H16N6O/c24-17(12-3-1-5-18-9-12)23-8-2-4-15(23)13-10-19-11-14(22-13)16-20-6-7-21-16/h1,3,5-7,9-11,15H,2,4,8H2,(H,20,21)
InChIKeyAENMPCLITBTRHO-UHFFFAOYSA-N
MW320.36 g/mol
LogP2.24
Rot. Bonds3

About [2-[6-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone

[2-[6-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 110099796) has the molecular formula C17H16N6O and a molecular weight of 320.36 g/mol. Its IUPAC name is [2-[6-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[2-[6-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
PubChem CID110099796
Molecular FormulaC17H16N6O
Molecular Weight320.36 g/mol
Exact Mass320.14
IUPAC Name[2-[6-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
SMILESO=C(c1cccnc1)N1CCCC1c1cncc(-c2ncc[nH]2)n1
InChIInChI=1S/C17H16N6O/c24-17(12-3-1-5-18-9-12)23-8-2-4-15(23)13-10-19-11-14(22-13)16-20-6-7-21-16/h1,3,5-7,9-11,15H,2,4,8H2,(H,20,21)
InChIKeyAENMPCLITBTRHO-UHFFFAOYSA-N
XLogP2.24
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-[6-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 125023182
[(2R)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95845020
pyridin-3-yl-[(2S)-2-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 51589304
[(2S)-2-[6-(4-chlorophenoxy)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95843583
[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 110099532
[(2S)-2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 124964204
2-[(2S)-1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136682307
[2-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110270750
[2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone
CID 110099808
[2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 110110574
[(2S)-2-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 95818042
pyridin-3-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51729082

Frequently Asked Questions

What is the IUPAC name of [2-[6-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [2-[6-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone (CID 110099796) is [2-[6-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [2-[6-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [2-[6-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone is O=C(c1cccnc1)N1CCCC1c1cncc(-c2ncc[nH]2)n1.
What is the InChIKey of [2-[6-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is AENMPCLITBTRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O/c24-17(12-3-1-5-18-9-12)23-8-2-4-15(23)13-10-19-11-14(22-13)16-20-6-7-21-16/h1,3,5-7,9-11,15H,2,4,8H2,(H,20,21).
What are the key properties of [2-[6-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone?
[2-[6-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 320.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 110099796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).