5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-(dimethylamino)-4H-thieno[2,3-c]pyrrol-6-one;2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one

C26H28N8O2S2 — CID 157326574

IUPAC5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-(dimethylamino)-4H-thieno[2,3-c]pyrrol-6-one;2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one
SMILESCN(C)c1cc2c(s1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.CN(C)c1cc2c(s1)C(=O)NC2
InChIInChI=1S/C18H18N6OS.C8H10N2OS/c1-22(2)15-8-11-9-23(18(25)16(11)26-15)14-5-3-4-13(20-14)17-21-19-10-24(17)12-6-7-12;1-10(2)6-3-5-4-9-8(11)7(5)12-6/h3-5,8,10,12H,6-7,9H2,1-2H3;3H,4H2,1-2H3,(H,9,11)
InChIKeyBEUJBMULNUCOAY-UHFFFAOYSA-N
MW548.70 g/mol
LogP4.02
Rot. Bonds5

About 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-(dimethylamino)-4H-thieno[2,3-c]pyrrol-6-one;2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one

5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-(dimethylamino)-4H-thieno[2,3-c]pyrrol-6-one;2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one (PubChem CID 157326574) has the molecular formula C26H28N8O2S2 and a molecular weight of 548.70 g/mol. Its IUPAC name is 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-(dimethylamino)-4H-thieno[2,3-c]pyrrol-6-one;2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one.

Molecular Properties

Compound Name5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-(dimethylamino)-4H-thieno[2,3-c]pyrrol-6-one;2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one
PubChem CID157326574
Molecular FormulaC26H28N8O2S2
Molecular Weight548.70 g/mol
Exact Mass548.18
IUPAC Name5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-(dimethylamino)-4H-thieno[2,3-c]pyrrol-6-one;2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one
SMILESCN(C)c1cc2c(s1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.CN(C)c1cc2c(s1)C(=O)NC2
InChIInChI=1S/C18H18N6OS.C8H10N2OS/c1-22(2)15-8-11-9-23(18(25)16(11)26-15)14-5-3-4-13(20-14)17-21-19-10-24(17)12-6-7-12;1-10(2)6-3-5-4-9-8(11)7(5)12-6/h3-5,8,10,12H,6-7,9H2,1-2H3;3H,4H2,1-2H3,(H,9,11)
InChIKeyBEUJBMULNUCOAY-UHFFFAOYSA-N
XLogP4.02
TPSA99.49 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.70
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-(dimethylamino)-4H-thieno[2,3-c]pyrrol-6-one;2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-(dimethylamino)-4H-thieno[2,3-c]pyrrol-6-one;2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one?
The IUPAC name of 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-(dimethylamino)-4H-thieno[2,3-c]pyrrol-6-one;2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one (CID 157326574) is 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-(dimethylamino)-4H-thieno[2,3-c]pyrrol-6-one;2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one.
What is the SMILES notation for 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-(dimethylamino)-4H-thieno[2,3-c]pyrrol-6-one;2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one?
The canonical SMILES for 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-(dimethylamino)-4H-thieno[2,3-c]pyrrol-6-one;2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one is CN(C)c1cc2c(s1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.CN(C)c1cc2c(s1)C(=O)NC2.
What is the InChIKey of 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-(dimethylamino)-4H-thieno[2,3-c]pyrrol-6-one;2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one?
The InChIKey is BEUJBMULNUCOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6OS.C8H10N2OS/c1-22(2)15-8-11-9-23(18(25)16(11)26-15)14-5-3-4-13(20-14)17-21-19-10-24(17)12-6-7-12;1-10(2)6-3-5-4-9-8(11)7(5)12-6/h3-5,8,10,12H,6-7,9H2,1-2H3;3H,4H2,1-2H3,(H,9,11).
What are the key properties of 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-(dimethylamino)-4H-thieno[2,3-c]pyrrol-6-one;2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one?
5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-(dimethylamino)-4H-thieno[2,3-c]pyrrol-6-one;2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one has a molecular weight of 548.70 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-(dimethylamino)-4H-thieno[2,3-c]pyrrol-6-one;2-(dimethylamino)-4,5-dihydrothieno[2,3-c]pyrrol-6-one is sourced from PubChem (CID 157326574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).