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

C22H24N4O2 — CID 118774913

IUPAC[3-(2-aminoethoxy)-4-methylphenyl]-(1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCn3cccc3C2c2ccccn2)cc1OCCN
InChIInChI=1S/C22H24N4O2/c1-16-7-8-17(15-20(16)28-14-9-23)22(27)26-13-12-25-11-4-6-19(25)21(26)18-5-2-3-10-24-18/h2-8,10-11,15,21H,9,12-14,23H2,1H3
InChIKeyRMIDBZJHGLGZSW-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.77
Rot. Bonds5

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

[3-(2-aminoethoxy)-4-methylphenyl]-(1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (PubChem CID 118774913) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is [3-(2-aminoethoxy)-4-methylphenyl]-(1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name[3-(2-aminoethoxy)-4-methylphenyl]-(1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
PubChem CID118774913
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name[3-(2-aminoethoxy)-4-methylphenyl]-(1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCn3cccc3C2c2ccccn2)cc1OCCN
InChIInChI=1S/C22H24N4O2/c1-16-7-8-17(15-20(16)28-14-9-23)22(27)26-13-12-25-11-4-6-19(25)21(26)18-5-2-3-10-24-18/h2-8,10-11,15,21H,9,12-14,23H2,1H3
InChIKeyRMIDBZJHGLGZSW-UHFFFAOYSA-N
XLogP2.77
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethoxy)-4-methylphenyl]-(1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The IUPAC name of [3-(2-aminoethoxy)-4-methylphenyl]-(1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (CID 118774913) is [3-(2-aminoethoxy)-4-methylphenyl]-(1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.
What is the SMILES notation for [3-(2-aminoethoxy)-4-methylphenyl]-(1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The canonical SMILES for [3-(2-aminoethoxy)-4-methylphenyl]-(1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is Cc1ccc(C(=O)N2CCn3cccc3C2c2ccccn2)cc1OCCN.
What is the InChIKey of [3-(2-aminoethoxy)-4-methylphenyl]-(1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The InChIKey is RMIDBZJHGLGZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16-7-8-17(15-20(16)28-14-9-23)22(27)26-13-12-25-11-4-6-19(25)21(26)18-5-2-3-10-24-18/h2-8,10-11,15,21H,9,12-14,23H2,1H3.
What are the key properties of [3-(2-aminoethoxy)-4-methylphenyl]-(1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
[3-(2-aminoethoxy)-4-methylphenyl]-(1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone has a molecular weight of 376.46 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethoxy)-4-methylphenyl]-(1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 118774913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).