4-phenyl-1-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one

C24H29N5O — CID 110267789

IUPAC4-phenyl-1-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one
SMILESCC(C)c1nccn1-c1cncc(C2CCCN2C(=O)CCCc2ccccc2)n1
InChIInChI=1S/C24H29N5O/c1-18(2)24-26-13-15-29(24)22-17-25-16-20(27-22)21-11-7-14-28(21)23(30)12-6-10-19-8-4-3-5-9-19/h3-5,8-9,13,15-18,21H,6-7,10-12,14H2,1-2H3
InChIKeyXAHPVTSKONFRCU-UHFFFAOYSA-N
MW403.53 g/mol
LogP4.47
Rot. Bonds7

About 4-phenyl-1-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one

4-phenyl-1-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one (PubChem CID 110267789) has the molecular formula C24H29N5O and a molecular weight of 403.53 g/mol. Its IUPAC name is 4-phenyl-1-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4-phenyl-1-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one
PubChem CID110267789
Molecular FormulaC24H29N5O
Molecular Weight403.53 g/mol
Exact Mass403.24
IUPAC Name4-phenyl-1-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one
SMILESCC(C)c1nccn1-c1cncc(C2CCCN2C(=O)CCCc2ccccc2)n1
InChIInChI=1S/C24H29N5O/c1-18(2)24-26-13-15-29(24)22-17-25-16-20(27-22)21-11-7-14-28(21)23(30)12-6-10-19-8-4-3-5-9-19/h3-5,8-9,13,15-18,21H,6-7,10-12,14H2,1-2H3
InChIKeyXAHPVTSKONFRCU-UHFFFAOYSA-N
XLogP4.47
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.53
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-1-[(2R)-2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 95838299
1-[(2S)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 95838357
4-phenyl-1-[4-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]butan-1-one
CID 95838472
[(2S)-2-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95839096
3-phenyl-1-[(3S)-3-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]propan-1-one
CID 95838883
1-[(2R)-2-[6-(2-ethylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-pyridin-3-ylethanone
CID 95838496
2-[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine
CID 95839046
1-(2,2-dimethyl-3-oxopiperazin-1-yl)-4-[(2S)-2-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]butane-1,4-dione
CID 124986071
2-[(2R)-1-benzylpyrrolidin-2-yl]-6-(2-propan-2-ylimidazol-1-yl)pyridine
CID 95839005
1-morpholin-4-yl-2-[(3R)-3-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95815815
2-(1-benzylpyrrolidin-2-yl)-6-(2-ethylimidazol-1-yl)pyrazine
CID 110267837
1-[(2R)-2-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 95838461

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 4-phenyl-1-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one (CID 110267789) is 4-phenyl-1-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 4-phenyl-1-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 4-phenyl-1-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one is CC(C)c1nccn1-c1cncc(C2CCCN2C(=O)CCCc2ccccc2)n1.
What is the InChIKey of 4-phenyl-1-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one?
The InChIKey is XAHPVTSKONFRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O/c1-18(2)24-26-13-15-29(24)22-17-25-16-20(27-22)21-11-7-14-28(21)23(30)12-6-10-19-8-4-3-5-9-19/h3-5,8-9,13,15-18,21H,6-7,10-12,14H2,1-2H3.
What are the key properties of 4-phenyl-1-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one?
4-phenyl-1-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one has a molecular weight of 403.53 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[2-[6-(2-propan-2-ylimidazol-1-yl)pyrazin-2-yl]pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 110267789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).