5-[8-(methylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroinden-1-one

C16H14N4O — CID 59496149

IUPAC5-[8-(methylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroinden-1-one
SMILESCNc1ncc(-c2ccc3c(c2)CCC3=O)n2ccnc12
InChIInChI=1S/C16H14N4O/c1-17-15-16-18-6-7-20(16)13(9-19-15)11-2-4-12-10(8-11)3-5-14(12)21/h2,4,6-9H,3,5H2,1H3,(H,17,19)
InChIKeyXOHUFBMFDZELJX-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.57
Rot. Bonds2

About 5-[8-(methylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroinden-1-one

5-[8-(methylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroinden-1-one (PubChem CID 59496149) has the molecular formula C16H14N4O and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-[8-(methylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name5-[8-(methylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroinden-1-one
PubChem CID59496149
Molecular FormulaC16H14N4O
Molecular Weight278.31 g/mol
Exact Mass278.12
IUPAC Name5-[8-(methylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroinden-1-one
SMILESCNc1ncc(-c2ccc3c(c2)CCC3=O)n2ccnc12
InChIInChI=1S/C16H14N4O/c1-17-15-16-18-6-7-20(16)13(9-19-15)11-2-4-12-10(8-11)3-5-14(12)21/h2,4,6-9H,3,5H2,1H3,(H,17,19)
InChIKeyXOHUFBMFDZELJX-UHFFFAOYSA-N
XLogP2.57
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[8-(methylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroinden-1-one?
The IUPAC name of 5-[8-(methylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroinden-1-one (CID 59496149) is 5-[8-(methylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 5-[8-(methylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroinden-1-one?
The canonical SMILES for 5-[8-(methylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroinden-1-one is CNc1ncc(-c2ccc3c(c2)CCC3=O)n2ccnc12.
What is the InChIKey of 5-[8-(methylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroinden-1-one?
The InChIKey is XOHUFBMFDZELJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O/c1-17-15-16-18-6-7-20(16)13(9-19-15)11-2-4-12-10(8-11)3-5-14(12)21/h2,4,6-9H,3,5H2,1H3,(H,17,19).
What are the key properties of 5-[8-(methylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroinden-1-one?
5-[8-(methylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroinden-1-one has a molecular weight of 278.31 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-(methylamino)imidazo[1,2-a]pyrazin-5-yl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 59496149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).