7-methyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C26H28N6O2 — CID 158072914

IUPAC7-methyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCc1cc2c(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)C4)cccc2nc1-c1cnn(C)c1
InChIInChI=1S/C26H28N6O2/c1-16-11-20-19(5-4-6-21(20)28-24(16)18-12-27-31(3)13-18)25-22-14-30(2)23(33)15-32(22)26(29-25)17-7-9-34-10-8-17/h4-6,11-13,17H,7-10,14-15H2,1-3H3
InChIKeyLGLACFXRXOPKSJ-UHFFFAOYSA-N
MW456.55 g/mol
LogP3.67
Rot. Bonds3

About 7-methyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

7-methyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 158072914) has the molecular formula C26H28N6O2 and a molecular weight of 456.55 g/mol. Its IUPAC name is 7-methyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name7-methyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID158072914
Molecular FormulaC26H28N6O2
Molecular Weight456.55 g/mol
Exact Mass456.23
IUPAC Name7-methyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCc1cc2c(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)C4)cccc2nc1-c1cnn(C)c1
InChIInChI=1S/C26H28N6O2/c1-16-11-20-19(5-4-6-21(20)28-24(16)18-12-27-31(3)13-18)25-22-14-30(2)23(33)15-32(22)26(29-25)17-7-9-34-10-8-17/h4-6,11-13,17H,7-10,14-15H2,1-3H3
InChIKeyLGLACFXRXOPKSJ-UHFFFAOYSA-N
XLogP3.67
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of 7-methyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 158072914) is 7-methyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 7-methyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for 7-methyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is Cc1cc2c(-c3nc(C4CCOCC4)n4c3CN(C)C(=O)C4)cccc2nc1-c1cnn(C)c1.
What is the InChIKey of 7-methyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is LGLACFXRXOPKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2/c1-16-11-20-19(5-4-6-21(20)28-24(16)18-12-27-31(3)13-18)25-22-14-30(2)23(33)15-32(22)26(29-25)17-7-9-34-10-8-17/h4-6,11-13,17H,7-10,14-15H2,1-3H3.
What are the key properties of 7-methyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
7-methyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 456.55 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 158072914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).