1-[1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

C27H27F2N5O2S — CID 163235680

IUPAC1-[1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4nc(-c5cnc(C)s5)c(C(F)F)cc34)c2C1
InChIInChI=1S/C27H27F2N5O2S/c1-15-30-13-23(37-15)25-20(26(28)29)12-19-18(4-3-5-21(19)31-25)24-22-14-33(16(2)35)8-9-34(22)27(32-24)17-6-10-36-11-7-17/h3-5,12-13,17,26H,6-11,14H2,1-2H3
InChIKeyHABFWGPZEODUDU-UHFFFAOYSA-N
MW523.61 g/mol
LogP5.72
Rot. Bonds4

About 1-[1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone

1-[1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (PubChem CID 163235680) has the molecular formula C27H27F2N5O2S and a molecular weight of 523.61 g/mol. Its IUPAC name is 1-[1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
PubChem CID163235680
Molecular FormulaC27H27F2N5O2S
Molecular Weight523.61 g/mol
Exact Mass523.19
IUPAC Name1-[1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
SMILESCC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4nc(-c5cnc(C)s5)c(C(F)F)cc34)c2C1
InChIInChI=1S/C27H27F2N5O2S/c1-15-30-13-23(37-15)25-20(26(28)29)12-19-18(4-3-5-21(19)31-25)24-22-14-33(16(2)35)8-9-34(22)27(32-24)17-6-10-36-11-7-17/h3-5,12-13,17,26H,6-11,14H2,1-2H3
InChIKeyHABFWGPZEODUDU-UHFFFAOYSA-N
XLogP5.72
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.61
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The IUPAC name of 1-[1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone (CID 163235680) is 1-[1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone.
What is the SMILES notation for 1-[1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The canonical SMILES for 1-[1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is CC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4nc(-c5cnc(C)s5)c(C(F)F)cc34)c2C1.
What is the InChIKey of 1-[1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
The InChIKey is HABFWGPZEODUDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N5O2S/c1-15-30-13-23(37-15)25-20(26(28)29)12-19-18(4-3-5-21(19)31-25)24-22-14-33(16(2)35)8-9-34(22)27(32-24)17-6-10-36-11-7-17/h3-5,12-13,17,26H,6-11,14H2,1-2H3.
What are the key properties of 1-[1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone?
1-[1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone has a molecular weight of 523.61 g/mol, XLogP of 5.72, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone is sourced from PubChem (CID 163235680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).