3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]methanone

C17H18N2O3 — CID 131916510

IUPAC3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]methanone
SMILESCC(C)(O)C#Cc1ccc(C(=O)N2CCn3cccc3C2)o1
InChIInChI=1S/C17H18N2O3/c1-17(2,21)8-7-14-5-6-15(22-14)16(20)19-11-10-18-9-3-4-13(18)12-19/h3-6,9,21H,10-12H2,1-2H3
InChIKeyNCBLQHPHFJIGOE-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.86
Rot. Bonds1

About 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]methanone

3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]methanone (PubChem CID 131916510) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]methanone
PubChem CID131916510
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]methanone
SMILESCC(C)(O)C#Cc1ccc(C(=O)N2CCn3cccc3C2)o1
InChIInChI=1S/C17H18N2O3/c1-17(2,21)8-7-14-5-6-15(22-14)16(20)19-11-10-18-9-3-4-13(18)12-19/h3-6,9,21H,10-12H2,1-2H3
InChIKeyNCBLQHPHFJIGOE-UHFFFAOYSA-N
XLogP1.86
TPSA58.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-Furoyl)-1-phenyl-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 4917368
N-ethyl-5-methyl-N-(pyridin-4-ylmethyl)furan-2-carboxamide
CID 6468617
furan-2-yl-[(3E)-3-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]pyrrolidin-1-yl]methanone
CID 155551776
5-methyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 903686
(4-(2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl)piperazin-1-yl)(furan-2-yl)methanone
CID 1523652
(4E)-1-[2-(diethylamino)ethyl]-4-[hydroxy(5-methylfuran-2-yl)methylidene]-5-(pyridin-2-yl)pyrrolidine-2,3-dione
CID 2951314
N-[2-(furan-2-carbonylamino)ethyl]-1-methylpyrrole-2-carboxamide
CID 30776096
N-cyclopropyl-5-methyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 45850253
4-[(5-methylfuran-2-carbonyl)amino]-N-(pyridin-2-ylmethyl)piperidine-1-carboxamide
CID 49539608
N-[1-(hydroxymethyl)propyl]-5-[(methylthio)methyl]-N-(pyridin-2-ylmethyl)-2-furamide
CID 50958547
N-methyl-N-{[1-(2-pyridin-2-ylethyl)-1,2,5,6-tetrahydropyridin-3-yl]methyl}-2-furamide
CID 50977263
N-[2-(dimethylamino)ethyl]-3-methyl-N-(pyridin-2-ylmethyl)furan-2-carboxamide
CID 56783057

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]methanone (CID 131916510) is 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]methanone is CC(C)(O)C#Cc1ccc(C(=O)N2CCn3cccc3C2)o1.
What is the InChIKey of 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]methanone?
The InChIKey is NCBLQHPHFJIGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-17(2,21)8-7-14-5-6-15(22-14)16(20)19-11-10-18-9-3-4-13(18)12-19/h3-6,9,21H,10-12H2,1-2H3.
What are the key properties of 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]methanone?
3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]methanone has a molecular weight of 298.34 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]methanone is sourced from PubChem (CID 131916510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).