[(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-phenylphenyl)methanone

C27H24N2O — CID 92955733

IUPAC[(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-phenylphenyl)methanone
SMILESCc1ccccc1[C@H]1c2cccn2CCN1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H24N2O/c1-20-8-5-6-11-24(20)26-25-12-7-17-28(25)18-19-29(26)27(30)23-15-13-22(14-16-23)21-9-3-2-4-10-21/h2-17,26H,18-19H2,1H3/t26-/m0/s1
InChIKeyBOMURZHGWXKMQH-SANMLTNESA-N
MW392.50 g/mol
LogP5.71
Rot. Bonds3

About [(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-phenylphenyl)methanone

[(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-phenylphenyl)methanone (PubChem CID 92955733) has the molecular formula C27H24N2O and a molecular weight of 392.50 g/mol. Its IUPAC name is [(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-phenylphenyl)methanone.

Molecular Properties

Compound Name[(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-phenylphenyl)methanone
PubChem CID92955733
Molecular FormulaC27H24N2O
Molecular Weight392.50 g/mol
Exact Mass392.19
IUPAC Name[(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-phenylphenyl)methanone
SMILESCc1ccccc1[C@H]1c2cccn2CCN1C(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C27H24N2O/c1-20-8-5-6-11-24(20)26-25-12-7-17-28(25)18-19-29(26)27(30)23-15-13-22(14-16-23)21-9-3-2-4-10-21/h2-17,26H,18-19H2,1H3/t26-/m0/s1
InChIKeyBOMURZHGWXKMQH-SANMLTNESA-N
XLogP5.71
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-methylphenyl)-[1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 24859416
[1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone
CID 42782432
1-(2-methylphenyl)-N-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 42812236
(1R)-1-(2-methylphenyl)-N-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92949505
[1-(4-fluorophenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-(4-phenylphenyl)methanone
CID 42740338
N-cyclohexyl-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 3262065
N-(2-ethylphenyl)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 5076288
[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[4-methyl-3-(trifluoromethyl)phenyl]methanone
CID 71959510
4-[(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-N-(2-methylpropyl)-4-oxobutanamide
CID 93143075
(2-methoxyphenyl)-[1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 24859265
[1-(3-phenylmethoxyphenyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepin-2-yl]-(4-phenylphenyl)methanone
CID 42741140
N-ethyl-4-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl)benzenesulfonamide
CID 55985293

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-phenylphenyl)methanone?
The IUPAC name of [(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-phenylphenyl)methanone (CID 92955733) is [(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-phenylphenyl)methanone.
What is the SMILES notation for [(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-phenylphenyl)methanone?
The canonical SMILES for [(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-phenylphenyl)methanone is Cc1ccccc1[C@H]1c2cccn2CCN1C(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-phenylphenyl)methanone?
The InChIKey is BOMURZHGWXKMQH-SANMLTNESA-N. The full InChI is InChI=1S/C27H24N2O/c1-20-8-5-6-11-24(20)26-25-12-7-17-28(25)18-19-29(26)27(30)23-15-13-22(14-16-23)21-9-3-2-4-10-21/h2-17,26H,18-19H2,1H3/t26-/m0/s1.
What are the key properties of [(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-phenylphenyl)methanone?
[(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-phenylphenyl)methanone has a molecular weight of 392.50 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(4-phenylphenyl)methanone is sourced from PubChem (CID 92955733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).