(1,6-Dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)(p-tolyl)methanone

C17H20N2O — CID 4871560

IUPAC(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methylphenyl)methanone
SMILESCC1C2=CC=C(N2CCN1C(=O)C3=CC=C(C=C3)C)C
InChIInChI=1S/C17H20N2O/c1-12-4-7-15(8-5-12)17(20)19-11-10-18-13(2)6-9-16(18)14(19)3/h4-9,14H,10-11H2,1-3H3
InChIKeyXABDVIIAQGVVNF-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.50
Rot. Bonds1

About (1,6-Dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)(p-tolyl)methanone

(1,6-Dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)(p-tolyl)methanone (PubChem CID 4871560) has the molecular formula C17H20N2O and a molecular weight of 268.35 g/mol. Its IUPAC name is (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(1,6-Dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)(p-tolyl)methanone
PubChem CID4871560
Molecular FormulaC17H20N2O
Molecular Weight268.35 g/mol
Exact Mass268.16
IUPAC Name(1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methylphenyl)methanone
SMILESCC1C2=CC=C(N2CCN1C(=O)C3=CC=C(C=C3)C)C
InChIInChI=1S/C17H20N2O/c1-12-4-7-15(8-5-12)17(20)19-11-10-18-13(2)6-9-16(18)14(19)3/h4-9,14H,10-11H2,1-3H3
InChIKeyXABDVIIAQGVVNF-UHFFFAOYSA-N
XLogP2.50
TPSA25.20 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity362

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3,3-Dimethylpiperidin-1-yl)(6-(3-fluoro-4-methylphenyl)pyridin-2-yl)methanone
CID 24808495
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CID 1472874
N-(2-acetamidoethyl)-4-(2,5-dimethylpyrrol-1-yl)benzamide
CID 2468420
4-Methyl-N-[2-pyridin-3-yl-1-(pyrrolidine-1-carbonyl)-vinyl]-benzamide
CID 5764752
N-(1-Ethyl-1H-indol-2-ylmethyl)-4-fluoro-benzamide
CID 6498720
N-(1-Ethyl-1H-indol-2-ylmethyl)-2-fluoro-benzamide
CID 6498724
2-[2-(2-methylbenzoyl)-1H-pyrrol-1-yl]-1-piperidino-1-ethanone
CID 20889313
N,1-dimethyl-N-phenylindole-2-carboxamide
CID 3547496
N-Benzyl,N-methyl-1-methyl-1H-indole-2-carboxamide
CID 44588040
N-Benzyl-N,1-dimethylpyrrole-2-carboxamide
CID 11064199
N-(4-(pyridin-2-yl)benzyl)-N-(2-(dibutylamino)ethyl)-4-pentylbenzamide
CID 11237615
n-[2-(Diethylamino)ethyl]-4-(2-phenyl-4,5,6,7-tetrahydro-1h-indol-1-yl)benzamide
CID 16018283

Frequently Asked Questions

What is the IUPAC name of (1,6-Dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)(p-tolyl)methanone?
The IUPAC name of (1,6-Dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)(p-tolyl)methanone (CID 4871560) is (1,6-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (1,6-Dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)(p-tolyl)methanone?
The canonical SMILES for (1,6-Dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)(p-tolyl)methanone is CC1C2=CC=C(N2CCN1C(=O)C3=CC=C(C=C3)C)C.
What is the InChIKey of (1,6-Dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)(p-tolyl)methanone?
The InChIKey is XABDVIIAQGVVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-4-7-15(8-5-12)17(20)19-11-10-18-13(2)6-9-16(18)14(19)3/h4-9,14H,10-11H2,1-3H3.
What are the key properties of (1,6-Dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)(p-tolyl)methanone?
(1,6-Dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)(p-tolyl)methanone has a molecular weight of 268.35 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6-Dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)(p-tolyl)methanone is sourced from PubChem (CID 4871560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).