5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-methoxythiophene-2-carboxamide

C13H20N4O2S — CID 103505458

IUPAC5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-methoxythiophene-2-carboxamide
SMILESCOc1c(N2CCN3CCCC3C2)sc(C(N)=O)c1N
InChIInChI=1S/C13H20N4O2S/c1-19-10-9(14)11(12(15)18)20-13(10)17-6-5-16-4-2-3-8(16)7-17/h8H,2-7,14H2,1H3,(H2,15,18)
InChIKeyZIDPTZPQDKHIRF-UHFFFAOYSA-N
MW296.40 g/mol
LogP0.72
Rot. Bonds3

About 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-methoxythiophene-2-carboxamide

5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-methoxythiophene-2-carboxamide (PubChem CID 103505458) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-methoxythiophene-2-carboxamide.

Molecular Properties

Compound Name5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-methoxythiophene-2-carboxamide
PubChem CID103505458
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC Name5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-methoxythiophene-2-carboxamide
SMILESCOc1c(N2CCN3CCCC3C2)sc(C(N)=O)c1N
InChIInChI=1S/C13H20N4O2S/c1-19-10-9(14)11(12(15)18)20-13(10)17-6-5-16-4-2-3-8(16)7-17/h8H,2-7,14H2,1H3,(H2,15,18)
InChIKeyZIDPTZPQDKHIRF-UHFFFAOYSA-N
XLogP0.72
TPSA84.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-methoxythiophene-2-carboxamide with MolForge

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Related Compounds

5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-methylsulfanylthiophene-2-carboxamide
CID 103505433
3-amino-4-methoxy-5-(3-methoxypiperidin-1-yl)thiophene-2-carboxamide
CID 103507599
3-amino-5-(3-aminopyrrolidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103525772
3-amino-4-methoxy-5-[3-(trifluoromethyl)piperidin-1-yl]thiophene-2-carboxamide
CID 103422881
3-amino-5-(4-ethylpiperazin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103418763
3-amino-5-(4,4-dimethylazepan-1-yl)-4-methoxythiophene-2-carboxamide
CID 103422789
3-amino-5-(3-hydroxy-3-methylpiperidin-1-yl)-4-methoxythiophene-2-carboxamide
CID 103506593
1-[5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-methylsulfanylthiophen-2-yl]propan-1-one
CID 103505428
1-[3-amino-4-methoxy-5-[3-(trifluoromethyl)piperidin-1-yl]thiophen-2-yl]ethanone
CID 103422876
methyl 3-amino-5-(3-ethylpyrrolidin-1-yl)-4-methoxythiophene-2-carboxylate
CID 103506141
3-amino-5-(2,2-dimethylthiomorpholin-4-yl)-4-methoxythiophene-2-carboxamide
CID 103506664
[3-amino-5-(3,4-dimethylpyrrolidin-1-yl)-4-methoxythiophen-2-yl]-cyclopropylmethanone
CID 103506756

Frequently Asked Questions

What is the IUPAC name of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-methoxythiophene-2-carboxamide?
The IUPAC name of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-methoxythiophene-2-carboxamide (CID 103505458) is 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-methoxythiophene-2-carboxamide.
What is the SMILES notation for 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-methoxythiophene-2-carboxamide?
The canonical SMILES for 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-methoxythiophene-2-carboxamide is COc1c(N2CCN3CCCC3C2)sc(C(N)=O)c1N.
What is the InChIKey of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-methoxythiophene-2-carboxamide?
The InChIKey is ZIDPTZPQDKHIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-19-10-9(14)11(12(15)18)20-13(10)17-6-5-16-4-2-3-8(16)7-17/h8H,2-7,14H2,1H3,(H2,15,18).
What are the key properties of 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-methoxythiophene-2-carboxamide?
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-methoxythiophene-2-carboxamide has a molecular weight of 296.40 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-amino-4-methoxythiophene-2-carboxamide is sourced from PubChem (CID 103505458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).