[2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone

C18H17N5O — CID 110099808

IUPAC[2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC1c1nccnc1-c1ncc[nH]1
InChIInChI=1S/C18H17N5O/c24-18(13-5-2-1-3-6-13)23-12-4-7-14(23)15-16(20-9-8-19-15)17-21-10-11-22-17/h1-3,5-6,8-11,14H,4,7,12H2,(H,21,22)
InChIKeyOXDDJBKTLIRTDE-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.84
Rot. Bonds3

About [2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone

[2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone (PubChem CID 110099808) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is [2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone
PubChem CID110099808
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name[2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCCC1c1nccnc1-c1ncc[nH]1
InChIInChI=1S/C18H17N5O/c24-18(13-5-2-1-3-6-13)23-12-4-7-14(23)15-16(20-9-8-19-15)17-21-10-11-22-17/h1-3,5-6,8-11,14H,4,7,12H2,(H,21,22)
InChIKeyOXDDJBKTLIRTDE-UHFFFAOYSA-N
XLogP2.84
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 110110574
[(2S)-2-[3-(1-methylimidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone
CID 124998253
[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
[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110110080
[2-[6-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 110099796
phenyl-[2-(6-sulfanylidene-1H-pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 102542015
[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 110110907
[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
CID 61061635
[(3R)-3-[6-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 125023182
[(2R)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-phenylmethanone
CID 125001597
3-[3-[(2S)-1-methylpyrrolidin-2-yl]pyrazin-2-yl]benzoic acid
CID 124985271

Frequently Asked Questions

What is the IUPAC name of [2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone?
The IUPAC name of [2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone (CID 110099808) is [2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone.
What is the SMILES notation for [2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone?
The canonical SMILES for [2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone is O=C(c1ccccc1)N1CCCC1c1nccnc1-c1ncc[nH]1.
What is the InChIKey of [2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone?
The InChIKey is OXDDJBKTLIRTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c24-18(13-5-2-1-3-6-13)23-12-4-7-14(23)15-16(20-9-8-19-15)17-21-10-11-22-17/h1-3,5-6,8-11,14H,4,7,12H2,(H,21,22).
What are the key properties of [2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone?
[2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone has a molecular weight of 319.37 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(1H-imidazol-2-yl)pyrazin-2-yl]pyrrolidin-1-yl]-phenylmethanone is sourced from PubChem (CID 110099808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).