2-[6-(3-propan-2-ylimidazol-4-yl)cinnolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone

C22H24N6O — CID 160923056

IUPAC2-[6-(3-propan-2-ylimidazol-4-yl)cinnolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone
SMILESCC(C)n1cc(C(=O)Cc2cc3cc(-c4cncn4C(C)C)ccc3nn2)cn1
InChIInChI=1S/C22H24N6O/c1-14(2)27-13-23-11-21(27)16-5-6-20-17(7-16)8-19(25-26-20)9-22(29)18-10-24-28(12-18)15(3)4/h5-8,10-15H,9H2,1-4H3
InChIKeySSGXYOGEQXJERN-UHFFFAOYSA-N
MW388.48 g/mol
LogP4.28
Rot. Bonds6

About 2-[6-(3-propan-2-ylimidazol-4-yl)cinnolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone

2-[6-(3-propan-2-ylimidazol-4-yl)cinnolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone (PubChem CID 160923056) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 2-[6-(3-propan-2-ylimidazol-4-yl)cinnolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name2-[6-(3-propan-2-ylimidazol-4-yl)cinnolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone
PubChem CID160923056
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name2-[6-(3-propan-2-ylimidazol-4-yl)cinnolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone
SMILESCC(C)n1cc(C(=O)Cc2cc3cc(-c4cncn4C(C)C)ccc3nn2)cn1
InChIInChI=1S/C22H24N6O/c1-14(2)27-13-23-11-21(27)16-5-6-20-17(7-16)8-19(25-26-20)9-22(29)18-10-24-28(12-18)15(3)4/h5-8,10-15H,9H2,1-4H3
InChIKeySSGXYOGEQXJERN-UHFFFAOYSA-N
XLogP4.28
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-propan-2-ylimidazol-4-yl)cinnolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone?
The IUPAC name of 2-[6-(3-propan-2-ylimidazol-4-yl)cinnolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone (CID 160923056) is 2-[6-(3-propan-2-ylimidazol-4-yl)cinnolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone.
What is the SMILES notation for 2-[6-(3-propan-2-ylimidazol-4-yl)cinnolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone?
The canonical SMILES for 2-[6-(3-propan-2-ylimidazol-4-yl)cinnolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone is CC(C)n1cc(C(=O)Cc2cc3cc(-c4cncn4C(C)C)ccc3nn2)cn1.
What is the InChIKey of 2-[6-(3-propan-2-ylimidazol-4-yl)cinnolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone?
The InChIKey is SSGXYOGEQXJERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-14(2)27-13-23-11-21(27)16-5-6-20-17(7-16)8-19(25-26-20)9-22(29)18-10-24-28(12-18)15(3)4/h5-8,10-15H,9H2,1-4H3.
What are the key properties of 2-[6-(3-propan-2-ylimidazol-4-yl)cinnolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone?
2-[6-(3-propan-2-ylimidazol-4-yl)cinnolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone has a molecular weight of 388.48 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-propan-2-ylimidazol-4-yl)cinnolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone is sourced from PubChem (CID 160923056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).