3-cyclopropyl-1-[3-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

C24H22FN5OS — CID 139574876

IUPAC3-cyclopropyl-1-[3-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCc1ncc(-c2nc3cccc(-c4nc(C5CC5)n5c4CN(C)C(=O)C5C)c3cc2F)s1
InChIInChI=1S/C24H22FN5OS/c1-12-24(31)29(3)11-19-21(28-23(30(12)19)14-7-8-14)15-5-4-6-18-16(15)9-17(25)22(27-18)20-10-26-13(2)32-20/h4-6,9-10,12,14H,7-8,11H2,1-3H3
InChIKeyTXOTVPIKFGASFB-UHFFFAOYSA-N
MW447.54 g/mol
LogP5.08
Rot. Bonds3

About 3-cyclopropyl-1-[3-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one

3-cyclopropyl-1-[3-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (PubChem CID 139574876) has the molecular formula C24H22FN5OS and a molecular weight of 447.54 g/mol. Its IUPAC name is 3-cyclopropyl-1-[3-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.

Molecular Properties

Compound Name3-cyclopropyl-1-[3-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
PubChem CID139574876
Molecular FormulaC24H22FN5OS
Molecular Weight447.54 g/mol
Exact Mass447.15
IUPAC Name3-cyclopropyl-1-[3-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one
SMILESCc1ncc(-c2nc3cccc(-c4nc(C5CC5)n5c4CN(C)C(=O)C5C)c3cc2F)s1
InChIInChI=1S/C24H22FN5OS/c1-12-24(31)29(3)11-19-21(28-23(30(12)19)14-7-8-14)15-5-4-6-18-16(15)9-17(25)22(27-18)20-10-26-13(2)32-20/h4-6,9-10,12,14H,7-8,11H2,1-3H3
InChIKeyTXOTVPIKFGASFB-UHFFFAOYSA-N
XLogP5.08
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-1-[3-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[3-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The IUPAC name of 3-cyclopropyl-1-[3-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one (CID 139574876) is 3-cyclopropyl-1-[3-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one.
What is the SMILES notation for 3-cyclopropyl-1-[3-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The canonical SMILES for 3-cyclopropyl-1-[3-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is Cc1ncc(-c2nc3cccc(-c4nc(C5CC5)n5c4CN(C)C(=O)C5C)c3cc2F)s1.
What is the InChIKey of 3-cyclopropyl-1-[3-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
The InChIKey is TXOTVPIKFGASFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5OS/c1-12-24(31)29(3)11-19-21(28-23(30(12)19)14-7-8-14)15-5-4-6-18-16(15)9-17(25)22(27-18)20-10-26-13(2)32-20/h4-6,9-10,12,14H,7-8,11H2,1-3H3.
What are the key properties of 3-cyclopropyl-1-[3-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one?
3-cyclopropyl-1-[3-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one has a molecular weight of 447.54 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[3-fluoro-2-(2-methyl-1,3-thiazol-5-yl)quinolin-5-yl]-5,7-dimethyl-5,8-dihydroimidazo[1,5-a]pyrazin-6-one is sourced from PubChem (CID 139574876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).