1-[1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one

C27H28FN5O2S — CID 158369738

IUPAC1-[1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
SMILESCCC(=O)N1CCn2c(C3CCOCC3)nc(-c3c(F)ccc4cc(-c5cnc(C)s5)ncc34)c2C1
InChIInChI=1S/C27H28FN5O2S/c1-3-24(34)32-8-9-33-22(15-32)26(31-27(33)17-6-10-35-11-7-17)25-19-13-30-21(23-14-29-16(2)36-23)12-18(19)4-5-20(25)28/h4-5,12-14,17H,3,6-11,15H2,1-2H3
InChIKeyGULSQQYRZAQKSO-UHFFFAOYSA-N
MW505.62 g/mol
LogP5.32
Rot. Bonds4

About 1-[1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one

1-[1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one (PubChem CID 158369738) has the molecular formula C27H28FN5O2S and a molecular weight of 505.62 g/mol. Its IUPAC name is 1-[1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
PubChem CID158369738
Molecular FormulaC27H28FN5O2S
Molecular Weight505.62 g/mol
Exact Mass505.19
IUPAC Name1-[1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one
SMILESCCC(=O)N1CCn2c(C3CCOCC3)nc(-c3c(F)ccc4cc(-c5cnc(C)s5)ncc34)c2C1
InChIInChI=1S/C27H28FN5O2S/c1-3-24(34)32-8-9-33-22(15-32)26(31-27(33)17-6-10-35-11-7-17)25-19-13-30-21(23-14-29-16(2)36-23)12-18(19)4-5-20(25)28/h4-5,12-14,17H,3,6-11,15H2,1-2H3
InChIKeyGULSQQYRZAQKSO-UHFFFAOYSA-N
XLogP5.32
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.62
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one with MolForge

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Related Compounds

US11058688, Example 89
CID 139530385
US11058688, Example 93
CID 139530491
US10899769, Example 37a
CID 139571043
2-[4-(2-methoxyethyl)imidazol-1-yl]-9-(1,3-thiazol-2-yl)-7,8-dihydro-4H-[1,4]diazepino[7,1-a]isoquinolin-5-one
CID 89979810
US9670204, 215 1-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperidin-1-yl)propan-1-one
CID 90420864
US9670204, 130 3-(dimethylamino)-1-(4-(2-ethyl-3-((4-(4-fluorophenyl)thiazol-2-yl)(methyl)amino)imidazo[1,2-a]pyridin-6-yl)piperidin-1-yl)propan-1-one
CID 90446646
US11058688, Example 22
CID 139530390
US11058688, Example 92
CID 139530447
US11058688, Example 100
CID 139543433
US10899769, Example 97
CID 139558275
US10899769, Example 101
CID 139558330
US10899769, Example 91a
CID 139558391

Frequently Asked Questions

What is the IUPAC name of 1-[1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?
The IUPAC name of 1-[1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one (CID 158369738) is 1-[1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one.
What is the SMILES notation for 1-[1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?
The canonical SMILES for 1-[1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one is CCC(=O)N1CCn2c(C3CCOCC3)nc(-c3c(F)ccc4cc(-c5cnc(C)s5)ncc34)c2C1.
What is the InChIKey of 1-[1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?
The InChIKey is GULSQQYRZAQKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O2S/c1-3-24(34)32-8-9-33-22(15-32)26(31-27(33)17-6-10-35-11-7-17)25-19-13-30-21(23-14-29-16(2)36-23)12-18(19)4-5-20(25)28/h4-5,12-14,17H,3,6-11,15H2,1-2H3.
What are the key properties of 1-[1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one?
1-[1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one has a molecular weight of 505.62 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[7-fluoro-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]propan-1-one is sourced from PubChem (CID 158369738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).