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

C26H26FN5O2S — CID 139571043

IUPAC(5S)-1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCc1ncc(-c2cc3ccc(F)c(-c4nc(C5CCOCC5)n5c4CN(C)C(=O)[C@@H]5C)c3cn2)s1
InChIInChI=1S/C26H26FN5O2S/c1-14-26(33)31(3)13-21-24(30-25(32(14)21)16-6-8-34-9-7-16)23-18-11-29-20(22-12-28-15(2)35-22)10-17(18)4-5-19(23)27/h4-5,10-12,14,16H,6-9,13H2,1-3H3/t14-/m0/s1
InChIKeyYPPIBRNYHDEWID-AWEZNQCLSA-N
MW491.59 g/mol
LogP5.10
Rot. Bonds3

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

(5S)-1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139571043) has the molecular formula C26H26FN5O2S and a molecular weight of 491.59 g/mol. Its IUPAC name is (5S)-1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name(5S)-1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139571043
Molecular FormulaC26H26FN5O2S
Molecular Weight491.59 g/mol
Exact Mass491.18
IUPAC Name(5S)-1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCc1ncc(-c2cc3ccc(F)c(-c4nc(C5CCOCC5)n5c4CN(C)C(=O)[C@@H]5C)c3cn2)s1
InChIInChI=1S/C26H26FN5O2S/c1-14-26(33)31(3)13-21-24(30-25(32(14)21)16-6-8-34-9-7-16)23-18-11-29-20(22-12-28-15(2)35-22)10-17(18)4-5-19(23)27/h4-5,10-12,14,16H,6-9,13H2,1-3H3/t14-/m0/s1
InChIKeyYPPIBRNYHDEWID-AWEZNQCLSA-N
XLogP5.10
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.59
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5S)-1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-5,7-dimethyl-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)-1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of (5S)-1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139571043) is (5S)-1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for (5S)-1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for (5S)-1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is Cc1ncc(-c2cc3ccc(F)c(-c4nc(C5CCOCC5)n5c4CN(C)C(=O)[C@@H]5C)c3cn2)s1.
What is the InChIKey of (5S)-1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is YPPIBRNYHDEWID-AWEZNQCLSA-N. The full InChI is InChI=1S/C26H26FN5O2S/c1-14-26(33)31(3)13-21-24(30-25(32(14)21)16-6-8-34-9-7-16)23-18-11-29-20(22-12-28-15(2)35-22)10-17(18)4-5-19(23)27/h4-5,10-12,14,16H,6-9,13H2,1-3H3/t14-/m0/s1.
What are the key properties of (5S)-1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
(5S)-1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 491.59 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-5,7-dimethyl-3-(oxan-4-yl)-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139571043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).