1-[2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one

C14H17N5O — CID 110258426

IUPAC1-[2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC1c1nccnc1-n1ccnc1
InChIInChI=1S/C14H17N5O/c1-2-12(20)19-8-3-4-11(19)13-14(17-6-5-16-13)18-9-7-15-10-18/h5-7,9-11H,2-4,8H2,1H3
InChIKeyKUKQWNZDSUXLEZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.74
Rot. Bonds3

About 1-[2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one

1-[2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one (PubChem CID 110258426) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one
PubChem CID110258426
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name1-[2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCC1c1nccnc1-n1ccnc1
InChIInChI=1S/C14H17N5O/c1-2-12(20)19-8-3-4-11(19)13-14(17-6-5-16-13)18-9-7-15-10-18/h5-7,9-11H,2-4,8H2,1H3
InChIKeyKUKQWNZDSUXLEZ-UHFFFAOYSA-N
XLogP1.74
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-1-[(2R)-2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone
CID 95827703
2-[(2R)-1-cyclohexylpyrrolidin-2-yl]-3-imidazol-1-ylpyrazine
CID 95819472
1-(2-pyrazin-2-ylpyrrolidin-1-yl)propan-1-one
CID 73439555
1-[(2R)-2-[3-(pyridin-2-ylamino)pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95844568
1-[(2R)-2-[3-[(4-methyl-1,3-thiazol-2-yl)amino]pyrazin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95844570
1-[4-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 110085539
2-[(3R)-3-(3-imidazol-1-ylpyrazin-2-yl)piperidin-1-yl]-4,6-dimethylpyrimidine
CID 95829339
1-[2-(4-methylpyrimidin-2-yl)piperidin-1-yl]propan-1-one
CID 73439064
1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 95838459
1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]propan-1-one
CID 176931580
1-[(2R)-2-(6-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]ethanone
CID 95838452
2-[(3R)-1-[(4-fluorophenyl)methyl]piperidin-3-yl]-3-imidazol-1-ylpyrazine
CID 95810845

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one (CID 110258426) is 1-[2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCCC1c1nccnc1-n1ccnc1.
What is the InChIKey of 1-[2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is KUKQWNZDSUXLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-2-12(20)19-8-3-4-11(19)13-14(17-6-5-16-13)18-9-7-15-10-18/h5-7,9-11H,2-4,8H2,1H3.
What are the key properties of 1-[2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one?
1-[2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 271.32 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-imidazol-1-ylpyrazin-2-yl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110258426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).