methyl (2S)-3,3-dimethyl-2-[2-(7-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-oxoethyl]butanoate

C22H29N3O3 — CID 58135691

IUPACmethyl (2S)-3,3-dimethyl-2-[2-(7-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-oxoethyl]butanoate
SMILESCOC(=O)[C@@H](CC(=O)c1nc(-c2ccccc2)n2c1CN(C)CC2)C(C)(C)C
InChIInChI=1S/C22H29N3O3/c1-22(2,3)16(21(27)28-5)13-18(26)19-17-14-24(4)11-12-25(17)20(23-19)15-9-7-6-8-10-15/h6-10,16H,11-14H2,1-5H3/t16-/m1/s1
InChIKeyYUFILWVPIFRZTA-MRXNPFEDSA-N
MW383.49 g/mol
LogP3.40
Rot. Bonds5

About methyl (2S)-3,3-dimethyl-2-[2-(7-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-oxoethyl]butanoate

methyl (2S)-3,3-dimethyl-2-[2-(7-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-oxoethyl]butanoate (PubChem CID 58135691) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is methyl (2S)-3,3-dimethyl-2-[2-(7-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-oxoethyl]butanoate.

Molecular Properties

Compound Namemethyl (2S)-3,3-dimethyl-2-[2-(7-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-oxoethyl]butanoate
PubChem CID58135691
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Namemethyl (2S)-3,3-dimethyl-2-[2-(7-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-oxoethyl]butanoate
SMILESCOC(=O)[C@@H](CC(=O)c1nc(-c2ccccc2)n2c1CN(C)CC2)C(C)(C)C
InChIInChI=1S/C22H29N3O3/c1-22(2,3)16(21(27)28-5)13-18(26)19-17-14-24(4)11-12-25(17)20(23-19)15-9-7-6-8-10-15/h6-10,16H,11-14H2,1-5H3/t16-/m1/s1
InChIKeyYUFILWVPIFRZTA-MRXNPFEDSA-N
XLogP3.40
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl (2S)-3,3-dimethyl-2-[2-(7-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-oxoethyl]butanoate with MolForge

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Related Compounds

Methyl 4-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-4-oxobutanoate
CID 11834371
methyl (2S)-2-[2-[3-(3,4-difluorophenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-2-oxoethyl]-3,3-dimethylbutanoate
CID 58054141
(2S)-2-[2-[3-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-1-yl]-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 58054181
(2S)-2-[2-[3-(2,4-difluorophenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 58135550
(2S)-2-[2-[3-(2-fluoro-4-methylphenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 58135563
(2S)-2-[2-[3-(4-fluorophenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 58135574
(2S)-2-[2-[3-(2,5-difluorophenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 58135586
(2S)-N,3,3-trimethyl-2-[2-oxo-2-[3-[3-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]ethyl]butanamide
CID 58135588
(2S)-2-[2-[3-(2-fluoro-5-methylphenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 58135629
(2S)-2-[2-[3-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 58135689
(2S)-2-[2-[3-(3-fluorophenyl)-7-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl]-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 58135700
(2S)-2-[2-[3-(4-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl]-2-oxoethyl]-N,3,3-trimethylbutanamide
CID 58135731

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3,3-dimethyl-2-[2-(7-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-oxoethyl]butanoate?
The IUPAC name of methyl (2S)-3,3-dimethyl-2-[2-(7-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-oxoethyl]butanoate (CID 58135691) is methyl (2S)-3,3-dimethyl-2-[2-(7-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-oxoethyl]butanoate.
What is the SMILES notation for methyl (2S)-3,3-dimethyl-2-[2-(7-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-oxoethyl]butanoate?
The canonical SMILES for methyl (2S)-3,3-dimethyl-2-[2-(7-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-oxoethyl]butanoate is COC(=O)[C@@H](CC(=O)c1nc(-c2ccccc2)n2c1CN(C)CC2)C(C)(C)C.
What is the InChIKey of methyl (2S)-3,3-dimethyl-2-[2-(7-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-oxoethyl]butanoate?
The InChIKey is YUFILWVPIFRZTA-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-22(2,3)16(21(27)28-5)13-18(26)19-17-14-24(4)11-12-25(17)20(23-19)15-9-7-6-8-10-15/h6-10,16H,11-14H2,1-5H3/t16-/m1/s1.
What are the key properties of methyl (2S)-3,3-dimethyl-2-[2-(7-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-oxoethyl]butanoate?
methyl (2S)-3,3-dimethyl-2-[2-(7-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-oxoethyl]butanoate has a molecular weight of 383.49 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3,3-dimethyl-2-[2-(7-methyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-1-yl)-2-oxoethyl]butanoate is sourced from PubChem (CID 58135691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).