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

C27H28F2N6O2S — CID 163235679

IUPAC1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4nc(-c5cnc(C)s5)c(C(F)F)cc34)c2C1
InChIInChI=1S/C27H28F2N6O2S/c1-15-31-13-22(38-15)24-19(25(28)29)12-18-17(4-3-5-20(18)32-24)23-21-14-34(27(36)30-2)8-9-35(21)26(33-23)16-6-10-37-11-7-16/h3-5,12-13,16,25H,6-11,14H2,1-2H3,(H,30,36)
InChIKeyJGQRFYWJFLSFHX-UHFFFAOYSA-N
MW538.62 g/mol
LogP5.52
Rot. Bonds4

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

1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 163235679) has the molecular formula C27H28F2N6O2S and a molecular weight of 538.62 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID163235679
Molecular FormulaC27H28F2N6O2S
Molecular Weight538.62 g/mol
Exact Mass538.20
IUPAC Name1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4nc(-c5cnc(C)s5)c(C(F)F)cc34)c2C1
InChIInChI=1S/C27H28F2N6O2S/c1-15-31-13-22(38-15)24-19(25(28)29)12-18-17(4-3-5-20(18)32-24)23-21-14-34(27(36)30-2)8-9-35(21)26(33-23)16-6-10-37-11-7-16/h3-5,12-13,16,25H,6-11,14H2,1-2H3,(H,30,36)
InChIKeyJGQRFYWJFLSFHX-UHFFFAOYSA-N
XLogP5.52
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.62
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 163235679) is 1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CCOCC3)nc(-c3cccc4nc(-c5cnc(C)s5)c(C(F)F)cc34)c2C1.
What is the InChIKey of 1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is JGQRFYWJFLSFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N6O2S/c1-15-31-13-22(38-15)24-19(25(28)29)12-18-17(4-3-5-20(18)32-24)23-21-14-34(27(36)30-2)8-9-35(21)26(33-23)16-6-10-37-11-7-16/h3-5,12-13,16,25H,6-11,14H2,1-2H3,(H,30,36).
What are the key properties of 1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 538.62 g/mol, XLogP of 5.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 163235679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).