5-[(5R)-5,7-dimethyl-3-(oxan-4-yl)-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile

C27H27N7O2 — CID 139570985

IUPAC5-[(5R)-5,7-dimethyl-3-(oxan-4-yl)-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile
SMILESC[C@@H]1C(=O)N(C)Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C#N)cc34)nc(C3CCOCC3)n21
InChIInChI=1S/C27H27N7O2/c1-16-27(35)32(2)15-23-25(31-26(34(16)23)17-7-9-36-10-8-17)20-5-4-6-22-21(20)11-18(12-28)24(30-22)19-13-29-33(3)14-19/h4-6,11,13-14,16-17H,7-10,15H2,1-3H3/t16-/m1/s1
InChIKeyOTLUGLDCVHKZEE-MRXNPFEDSA-N
MW481.56 g/mol
LogP3.80
Rot. Bonds3

About 5-[(5R)-5,7-dimethyl-3-(oxan-4-yl)-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile

5-[(5R)-5,7-dimethyl-3-(oxan-4-yl)-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile (PubChem CID 139570985) has the molecular formula C27H27N7O2 and a molecular weight of 481.56 g/mol. Its IUPAC name is 5-[(5R)-5,7-dimethyl-3-(oxan-4-yl)-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile.

Molecular Properties

Compound Name5-[(5R)-5,7-dimethyl-3-(oxan-4-yl)-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile
PubChem CID139570985
Molecular FormulaC27H27N7O2
Molecular Weight481.56 g/mol
Exact Mass481.22
IUPAC Name5-[(5R)-5,7-dimethyl-3-(oxan-4-yl)-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile
SMILESC[C@@H]1C(=O)N(C)Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C#N)cc34)nc(C3CCOCC3)n21
InChIInChI=1S/C27H27N7O2/c1-16-27(35)32(2)15-23-25(31-26(34(16)23)17-7-9-36-10-8-17)20-5-4-6-22-21(20)11-18(12-28)24(30-22)19-13-29-33(3)14-19/h4-6,11,13-14,16-17H,7-10,15H2,1-3H3/t16-/m1/s1
InChIKeyOTLUGLDCVHKZEE-MRXNPFEDSA-N
XLogP3.80
TPSA101.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[(5R)-5,7-dimethyl-3-(oxan-4-yl)-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(5R)-5,7-dimethyl-3-(oxan-4-yl)-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile?
The IUPAC name of 5-[(5R)-5,7-dimethyl-3-(oxan-4-yl)-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile (CID 139570985) is 5-[(5R)-5,7-dimethyl-3-(oxan-4-yl)-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 5-[(5R)-5,7-dimethyl-3-(oxan-4-yl)-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile?
The canonical SMILES for 5-[(5R)-5,7-dimethyl-3-(oxan-4-yl)-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile is C[C@@H]1C(=O)N(C)Cc2c(-c3cccc4nc(-c5cnn(C)c5)c(C#N)cc34)nc(C3CCOCC3)n21.
What is the InChIKey of 5-[(5R)-5,7-dimethyl-3-(oxan-4-yl)-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile?
The InChIKey is OTLUGLDCVHKZEE-MRXNPFEDSA-N. The full InChI is InChI=1S/C27H27N7O2/c1-16-27(35)32(2)15-23-25(31-26(34(16)23)17-7-9-36-10-8-17)20-5-4-6-22-21(20)11-18(12-28)24(30-22)19-13-29-33(3)14-19/h4-6,11,13-14,16-17H,7-10,15H2,1-3H3/t16-/m1/s1.
What are the key properties of 5-[(5R)-5,7-dimethyl-3-(oxan-4-yl)-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile?
5-[(5R)-5,7-dimethyl-3-(oxan-4-yl)-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile has a molecular weight of 481.56 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5R)-5,7-dimethyl-3-(oxan-4-yl)-6-oxo-5,8-dihydroimidazo[1,5-a]pyrazin-1-yl]-2-(1-methylpyrazol-4-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 139570985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).