N-(3,4-dimethylphenyl)-4-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxobutanamide

C26H29N3O2 — CID 93304963

IUPACN-(3,4-dimethylphenyl)-4-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxobutanamide
SMILESCc1cccc([C@@H]2c3cccn3CCN2C(=O)CCC(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C26H29N3O2/c1-18-6-4-7-21(16-18)26-23-8-5-13-28(23)14-15-29(26)25(31)12-11-24(30)27-22-10-9-19(2)20(3)17-22/h4-10,13,16-17,26H,11-12,14-15H2,1-3H3,(H,27,30)/t26-/m1/s1
InChIKeyACQCPHGHTNWEKS-AREMUKBSSA-N
MW415.54 g/mol
LogP4.76
Rot. Bonds5

About N-(3,4-dimethylphenyl)-4-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxobutanamide

N-(3,4-dimethylphenyl)-4-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxobutanamide (PubChem CID 93304963) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxobutanamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxobutanamide
PubChem CID93304963
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC NameN-(3,4-dimethylphenyl)-4-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxobutanamide
SMILESCc1cccc([C@@H]2c3cccn3CCN2C(=O)CCC(=O)Nc2ccc(C)c(C)c2)c1
InChIInChI=1S/C26H29N3O2/c1-18-6-4-7-21(16-18)26-23-8-5-13-28(23)14-15-29(26)25(31)12-11-24(30)27-22-10-9-19(2)20(3)17-22/h4-10,13,16-17,26H,11-12,14-15H2,1-3H3,(H,27,30)/t26-/m1/s1
InChIKeyACQCPHGHTNWEKS-AREMUKBSSA-N
XLogP4.76
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 5204845
3-[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxo-N-propan-2-ylpropanamide
CID 24711887
3-(3-methylphenyl)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-1-one
CID 134054526
4-[1-(3-chlorophenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxo-N-propan-2-ylbutanamide
CID 46136058
N-(2-methoxyethyl)-2-[1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
CID 42812277
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 110647019
3-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 93143162
N-(3,4-dimethylphenyl)-1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 3425391
N-(3-methylphenyl)-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16810939
1-(2,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 43994575
(1S)-N-(3-methylphenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 7136150
1-(2-methoxyethyl)-3-(3-methylphenyl)-1-[2-oxo-2-[(1R)-1-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]urea
CID 98439828

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxobutanamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxobutanamide (CID 93304963) is N-(3,4-dimethylphenyl)-4-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxobutanamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxobutanamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxobutanamide is Cc1cccc([C@@H]2c3cccn3CCN2C(=O)CCC(=O)Nc2ccc(C)c(C)c2)c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxobutanamide?
The InChIKey is ACQCPHGHTNWEKS-AREMUKBSSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-18-6-4-7-21(16-18)26-23-8-5-13-28(23)14-15-29(26)25(31)12-11-24(30)27-22-10-9-19(2)20(3)17-22/h4-10,13,16-17,26H,11-12,14-15H2,1-3H3,(H,27,30)/t26-/m1/s1.
What are the key properties of N-(3,4-dimethylphenyl)-4-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxobutanamide?
N-(3,4-dimethylphenyl)-4-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxobutanamide has a molecular weight of 415.54 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-[(1R)-1-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-4-oxobutanamide is sourced from PubChem (CID 93304963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).