2-[7-[(E)-4-hydroxybut-1-enyl]-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide

C23H27N3O4 — CID 70254462

IUPAC2-[7-[(E)-4-hydroxybut-1-enyl]-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(-c2cn3cc(/C=C/CCO)cc3c(=O)n2CC(=O)NC(C)C)c1
InChIInChI=1S/C23H27N3O4/c1-16(2)24-22(28)15-26-21(18-8-6-9-19(12-18)30-3)14-25-13-17(7-4-5-10-27)11-20(25)23(26)29/h4,6-9,11-14,16,27H,5,10,15H2,1-3H3,(H,24,28)/b7-4+
InChIKeyYTKSOJNDTOUNII-QPJJXVBHSA-N
MW409.49 g/mol
LogP2.70
Rot. Bonds8

About 2-[7-[(E)-4-hydroxybut-1-enyl]-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide

2-[7-[(E)-4-hydroxybut-1-enyl]-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide (PubChem CID 70254462) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[7-[(E)-4-hydroxybut-1-enyl]-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[7-[(E)-4-hydroxybut-1-enyl]-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
PubChem CID70254462
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name2-[7-[(E)-4-hydroxybut-1-enyl]-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide
SMILESCOc1cccc(-c2cn3cc(/C=C/CCO)cc3c(=O)n2CC(=O)NC(C)C)c1
InChIInChI=1S/C23H27N3O4/c1-16(2)24-22(28)15-26-21(18-8-6-9-19(12-18)30-3)14-25-13-17(7-4-5-10-27)11-20(25)23(26)29/h4,6-9,11-14,16,27H,5,10,15H2,1-3H3,(H,24,28)/b7-4+
InChIKeyYTKSOJNDTOUNII-QPJJXVBHSA-N
XLogP2.70
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[(E)-4-hydroxybut-1-enyl]-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[7-[(E)-4-hydroxybut-1-enyl]-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide (CID 70254462) is 2-[7-[(E)-4-hydroxybut-1-enyl]-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[7-[(E)-4-hydroxybut-1-enyl]-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[7-[(E)-4-hydroxybut-1-enyl]-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide is COc1cccc(-c2cn3cc(/C=C/CCO)cc3c(=O)n2CC(=O)NC(C)C)c1.
What is the InChIKey of 2-[7-[(E)-4-hydroxybut-1-enyl]-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide?
The InChIKey is YTKSOJNDTOUNII-QPJJXVBHSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-16(2)24-22(28)15-26-21(18-8-6-9-19(12-18)30-3)14-25-13-17(7-4-5-10-27)11-20(25)23(26)29/h4,6-9,11-14,16,27H,5,10,15H2,1-3H3,(H,24,28)/b7-4+.
What are the key properties of 2-[7-[(E)-4-hydroxybut-1-enyl]-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide?
2-[7-[(E)-4-hydroxybut-1-enyl]-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide has a molecular weight of 409.49 g/mol, XLogP of 2.70, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(E)-4-hydroxybut-1-enyl]-3-(3-methoxyphenyl)-1-oxopyrrolo[1,2-a]pyrazin-2-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 70254462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).