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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

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(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
SMILESCC.CCC1CC(C(=O)NCc2cc3c(s2)CNC3)n2c1cnc(NCc1ccccc1)c2=O
InChIInChI=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
InChIKeyKRPPVXFOQNSPOR-UHFFFAOYSA-N
MW479.65 g/mol
LogP4.30
Rot. Bonds7

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 Name3-(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 CID176974163
Molecular FormulaC26H33N5O2S
Molecular Weight479.65 g/mol
Exact Mass479.24
IUPAC Name3-(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
SMILESCC.CCC1CC(C(=O)NCc2cc3c(s2)CNC3)n2c1cnc(NCc1ccccc1)c2=O
InChIInChI=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
InChIKeyKRPPVXFOQNSPOR-UHFFFAOYSA-N
XLogP4.30
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.65
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 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 with MolForge

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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).

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