3-(benzylamino)-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-8-ethyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;ethane

C26H33N5O2S — CID 176974163

About 3-(benzylamino)-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-8-ethyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;ethane

3-(benzylamino)-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-8-ethyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;ethane (PubChem CID 176974163) has the molecular formula C26H33N5O2S and a molecular weight of 479.65 g/mol. Its IUPAC name is 3-(benzylamino)-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-8-ethyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;ethane.

Molecular Properties

• Compound Name: 3-(benzylamino)-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-8-ethyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;ethane
• PubChem CID: 176974163
• Molecular Formula: C26H33N5O2S
• Molecular Weight: 479.65 g/mol
• Exact Mass: 479.24
• IUPAC Name: 3-(benzylamino)-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-8-ethyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;ethane
• SMILES: CC.CCC1CC(C(=O)NCc2cc3c(s2)CNC3)n2c1cnc(NCc1ccccc1)c2=O
• InChI: InChI=1S/C24H27N5O2S.C2H6/c1-2-16-9-19(23(30)28-12-18-8-17-11-25-14-21(17)32-18)29-20(16)13-27-22(24(29)31)26-10-15-6-4-3-5-7-15;1-2/h3-8,13,16,19,25H,2,9-12,14H2,1H3,(H,26,27)(H,28,30);1-2H3
• InChIKey: KRPPVXFOQNSPOR-UHFFFAOYSA-N
• XLogP: 4.30
• TPSA: 88.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.65
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(benzylamino)-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-8-ethyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;ethane?

The IUPAC name of 3-(benzylamino)-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-8-ethyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;ethane (CID 176974163) is 3-(benzylamino)-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-8-ethyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;ethane.

What is the SMILES notation for 3-(benzylamino)-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-8-ethyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;ethane?

The canonical SMILES for 3-(benzylamino)-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-8-ethyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;ethane is CC.CCC1CC(C(=O)NCc2cc3c(s2)CNC3)n2c1cnc(NCc1ccccc1)c2=O.

What is the InChIKey of 3-(benzylamino)-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-8-ethyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;ethane?

The InChIKey is KRPPVXFOQNSPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2S.C2H6/c1-2-16-9-19(23(30)28-12-18-8-17-11-25-14-21(17)32-18)29-20(16)13-27-22(24(29)31)26-10-15-6-4-3-5-7-15;1-2/h3-8,13,16,19,25H,2,9-12,14H2,1H3,(H,26,27)(H,28,30);1-2H3.

What are the key properties of 3-(benzylamino)-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-8-ethyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;ethane?

3-(benzylamino)-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-8-ethyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;ethane has a molecular weight of 479.65 g/mol, XLogP of 4.30, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(benzylamino)-N-(5,6-dihydro-4H-thieno[2,3-c]pyrrol-2-ylmethyl)-8-ethyl-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide;ethane is sourced from PubChem (CID 176974163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).