cyclohexyl-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone

C23H26N4O — CID 141340830

IUPACcyclohexyl-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
SMILESO=C(c1c[nH]c2ncc(-c3cccc(N4CCCC4)c3)nc12)C1CCCCC1
InChIInChI=1S/C23H26N4O/c28-22(16-7-2-1-3-8-16)19-14-24-23-21(19)26-20(15-25-23)17-9-6-10-18(13-17)27-11-4-5-12-27/h6,9-10,13-16H,1-5,7-8,11-12H2,(H,24,25)
InChIKeyHKNOUEHAACISHT-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.99
Rot. Bonds4

About cyclohexyl-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone

cyclohexyl-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone (PubChem CID 141340830) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is cyclohexyl-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
PubChem CID141340830
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Namecyclohexyl-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone
SMILESO=C(c1c[nH]c2ncc(-c3cccc(N4CCCC4)c3)nc12)C1CCCCC1
InChIInChI=1S/C23H26N4O/c28-22(16-7-2-1-3-8-16)19-14-24-23-21(19)26-20(15-25-23)17-9-6-10-18(13-17)27-11-4-5-12-27/h6,9-10,13-16H,1-5,7-8,11-12H2,(H,24,25)
InChIKeyHKNOUEHAACISHT-UHFFFAOYSA-N
XLogP4.99
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-dimethyl-4-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]butan-2-one
CID 68626844
N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 53386153
1-[2-[3-(3-methoxypyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 59541040
2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-N-propan-2-yl-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 59540773
1-[2-[3-[(3aR,6aS)-1,3,3a,4,6,6a-hexahydrothieno[3,4-c]pyrrol-5-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 59540650
[2-[3-[6-(hydroxymethyl)-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-(1-methylcyclohexyl)methanone
CID 67375971
N-[2,2-dimethyl-3-oxo-3-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propyl]-N-prop-2-enylbenzenesulfonamide
CID 59540853
2,2-dimethyl-1-[2-[3-(piperidin-1-ylmethyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
CID 158117176
2-methyl-1-[2-(3-pyrrol-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
CID 141340921
1-[2-[3-(2-azabicyclo[2.1.1]hexan-2-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 59540881
2,2-dimethyl-1-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]propan-1-one
CID 59540774
1-[2-[3-(2,2-dioxo-2λ6-thia-7-azaspiro[4.4]nonan-7-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-2,2-dimethylpropan-1-one
CID 59540745

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone?
The IUPAC name of cyclohexyl-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone (CID 141340830) is cyclohexyl-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone.
What is the SMILES notation for cyclohexyl-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone?
The canonical SMILES for cyclohexyl-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone is O=C(c1c[nH]c2ncc(-c3cccc(N4CCCC4)c3)nc12)C1CCCCC1.
What is the InChIKey of cyclohexyl-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone?
The InChIKey is HKNOUEHAACISHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c28-22(16-7-2-1-3-8-16)19-14-24-23-21(19)26-20(15-25-23)17-9-6-10-18(13-17)27-11-4-5-12-27/h6,9-10,13-16H,1-5,7-8,11-12H2,(H,24,25).
What are the key properties of cyclohexyl-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone?
cyclohexyl-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone has a molecular weight of 374.49 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[2-(3-pyrrolidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazin-7-yl]methanone is sourced from PubChem (CID 141340830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).