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

C25H37N5O2 — CID 66931901

IUPACN-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2,2-dimethylpropyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCNC(=O)C(NC(=O)c1nc(-c2ccccc2)n2c1CN(CC(C)(C)C)CC2)C(C)(C)C
InChIInChI=1S/C25H37N5O2/c1-24(2,3)16-29-13-14-30-18(15-29)19(27-21(30)17-11-9-8-10-12-17)22(31)28-20(23(32)26-7)25(4,5)6/h8-12,20H,13-16H2,1-7H3,(H,26,32)(H,28,31)
InChIKeyCLJYHXVNADTOBU-UHFFFAOYSA-N
MW439.60 g/mol
LogP3.30
Rot. Bonds5

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

N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2,2-dimethylpropyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 66931901) has the molecular formula C25H37N5O2 and a molecular weight of 439.60 g/mol. Its IUPAC name is N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2,2-dimethylpropyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound NameN-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2,2-dimethylpropyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID66931901
Molecular FormulaC25H37N5O2
Molecular Weight439.60 g/mol
Exact Mass439.29
IUPAC NameN-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2,2-dimethylpropyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
SMILESCNC(=O)C(NC(=O)c1nc(-c2ccccc2)n2c1CN(CC(C)(C)C)CC2)C(C)(C)C
InChIInChI=1S/C25H37N5O2/c1-24(2,3)16-29-13-14-30-18(15-29)19(27-21(30)17-11-9-8-10-12-17)22(31)28-20(23(32)26-7)25(4,5)6/h8-12,20H,13-16H2,1-7H3,(H,26,32)(H,28,31)
InChIKeyCLJYHXVNADTOBU-UHFFFAOYSA-N
XLogP3.30
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.60
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2,2-dimethylpropyl)-3-phenyl-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]-7-(2,2-dimethylpropyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide (CID 66931901) is N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2,2-dimethylpropyl)-3-phenyl-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]-7-(2,2-dimethylpropyl)-3-phenyl-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]-7-(2,2-dimethylpropyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is CNC(=O)C(NC(=O)c1nc(-c2ccccc2)n2c1CN(CC(C)(C)C)CC2)C(C)(C)C.
What is the InChIKey of N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2,2-dimethylpropyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is CLJYHXVNADTOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N5O2/c1-24(2,3)16-29-13-14-30-18(15-29)19(27-21(30)17-11-9-8-10-12-17)22(31)28-20(23(32)26-7)25(4,5)6/h8-12,20H,13-16H2,1-7H3,(H,26,32)(H,28,31).
What are the key properties of N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2,2-dimethylpropyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide?
N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2,2-dimethylpropyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 439.60 g/mol, XLogP of 3.30, 5 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]-7-(2,2-dimethylpropyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 66931901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).