[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone

C15H17FN6O — CID 124788310

IUPAC[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc2n1CCN(c1ncc(F)cn1)C2)N1CCCC1
InChIInChI=1S/C15H17FN6O/c16-11-7-18-15(19-8-11)21-5-6-22-12(9-17-13(22)10-21)14(23)20-3-1-2-4-20/h7-9H,1-6,10H2
InChIKeyBVEUXESDFVQQRS-UHFFFAOYSA-N
MW316.34 g/mol
LogP1.07
Rot. Bonds2

About [7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone

[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 124788310) has the molecular formula C15H17FN6O and a molecular weight of 316.34 g/mol. Its IUPAC name is [7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID124788310
Molecular FormulaC15H17FN6O
Molecular Weight316.34 g/mol
Exact Mass316.14
IUPAC Name[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc2n1CCN(c1ncc(F)cn1)C2)N1CCCC1
InChIInChI=1S/C15H17FN6O/c16-11-7-18-15(19-8-11)21-5-6-22-12(9-17-13(22)10-21)14(23)20-3-1-2-4-20/h7-9H,1-6,10H2
InChIKeyBVEUXESDFVQQRS-UHFFFAOYSA-N
XLogP1.07
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone (CID 124788310) is [7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1cnc2n1CCN(c1ncc(F)cn1)C2)N1CCCC1.
What is the InChIKey of [7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is BVEUXESDFVQQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN6O/c16-11-7-18-15(19-8-11)21-5-6-22-12(9-17-13(22)10-21)14(23)20-3-1-2-4-20/h7-9H,1-6,10H2.
What are the key properties of [7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone?
[7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 316.34 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(5-fluoropyrimidin-2-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 124788310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).