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

C27H30N6O2 — CID 159474570

IUPAC(5S)-5,7-dimethyl-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)[C@@H]4C)cccc2nc1-c1cnn(C)c1
InChIInChI=1S/C27H30N6O2/c1-16-12-21-20(6-5-7-22(21)29-24(16)19-13-28-32(4)14-19)25-23-15-31(3)27(34)17(2)33(23)26(30-25)18-8-10-35-11-9-18/h5-7,12-14,17-18H,8-11,15H2,1-4H3/t17-/m0/s1
InChIKeyFSBFJSXNIYYHNV-KRWDZBQOSA-N
MW470.58 g/mol
LogP4.23
Rot. Bonds3

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

(5S)-5,7-dimethyl-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 159474570) has the molecular formula C27H30N6O2 and a molecular weight of 470.58 g/mol. Its IUPAC name is (5S)-5,7-dimethyl-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 Name(5S)-5,7-dimethyl-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 CID159474570
Molecular FormulaC27H30N6O2
Molecular Weight470.58 g/mol
Exact Mass470.24
IUPAC Name(5S)-5,7-dimethyl-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)[C@@H]4C)cccc2nc1-c1cnn(C)c1
InChIInChI=1S/C27H30N6O2/c1-16-12-21-20(6-5-7-22(21)29-24(16)19-13-28-32(4)14-19)25-23-15-31(3)27(34)17(2)33(23)26(30-25)18-8-10-35-11-9-18/h5-7,12-14,17-18H,8-11,15H2,1-4H3/t17-/m0/s1
InChIKeyFSBFJSXNIYYHNV-KRWDZBQOSA-N
XLogP4.23
TPSA78.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.58
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5,7-dimethyl-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 (5S)-5,7-dimethyl-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 159474570) is (5S)-5,7-dimethyl-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 (5S)-5,7-dimethyl-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 (5S)-5,7-dimethyl-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)[C@@H]4C)cccc2nc1-c1cnn(C)c1.
What is the InChIKey of (5S)-5,7-dimethyl-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 FSBFJSXNIYYHNV-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H30N6O2/c1-16-12-21-20(6-5-7-22(21)29-24(16)19-13-28-32(4)14-19)25-23-15-31(3)27(34)17(2)33(23)26(30-25)18-8-10-35-11-9-18/h5-7,12-14,17-18H,8-11,15H2,1-4H3/t17-/m0/s1.
What are the key properties of (5S)-5,7-dimethyl-1-[3-methyl-2-(1-methylpyrazol-4-yl)quinolin-5-yl]-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
(5S)-5,7-dimethyl-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 470.58 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5,7-dimethyl-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 159474570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).