N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoro-4-methylphenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

C22H30FN5O2 — CID 66932280

IUPACN-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoro-4-methylphenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCNC(=O)C(NC(=O)c1nc(-c2ccc(C)cc2F)n2c1CN(C)CC2)C(C)(C)C
InChIInChI=1S/C22H30FN5O2/c1-13-7-8-14(15(23)11-13)19-25-17(16-12-27(6)9-10-28(16)19)20(29)26-18(21(30)24-5)22(2,3)4/h7-8,11,18H,9-10,12H2,1-6H3,(H,24,30)(H,26,29)
InChIKeyJTMJUJKVXMCYSX-UHFFFAOYSA-N
MW415.51 g/mol
LogP2.33
Rot. Bonds4

About N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoro-4-methylphenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide

N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoro-4-methylphenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 66932280) has the molecular formula C22H30FN5O2 and a molecular weight of 415.51 g/mol. Its IUPAC name is N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoro-4-methylphenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound NameN-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoro-4-methylphenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID66932280
Molecular FormulaC22H30FN5O2
Molecular Weight415.51 g/mol
Exact Mass415.24
IUPAC NameN-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoro-4-methylphenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCNC(=O)C(NC(=O)c1nc(-c2ccc(C)cc2F)n2c1CN(C)CC2)C(C)(C)C
InChIInChI=1S/C22H30FN5O2/c1-13-7-8-14(15(23)11-13)19-25-17(16-12-27(6)9-10-28(16)19)20(29)26-18(21(30)24-5)22(2,3)4/h7-8,11,18H,9-10,12H2,1-6H3,(H,24,30)(H,26,29)
InChIKeyJTMJUJKVXMCYSX-UHFFFAOYSA-N
XLogP2.33
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoro-4-methylphenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoro-4-methylphenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoro-4-methylphenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 66932280) is N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoro-4-methylphenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoro-4-methylphenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoro-4-methylphenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is CNC(=O)C(NC(=O)c1nc(-c2ccc(C)cc2F)n2c1CN(C)CC2)C(C)(C)C.
What is the InChIKey of N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoro-4-methylphenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is JTMJUJKVXMCYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN5O2/c1-13-7-8-14(15(23)11-13)19-25-17(16-12-27(6)9-10-28(16)19)20(29)26-18(21(30)24-5)22(2,3)4/h7-8,11,18H,9-10,12H2,1-6H3,(H,24,30)(H,26,29).
What are the key properties of N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoro-4-methylphenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoro-4-methylphenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 415.51 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-(2-fluoro-4-methylphenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 66932280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).