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

C24H22N6O2S2 — CID 161302352

IUPAC5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methyl-4H-thieno[2,3-c]pyrrol-6-one;2-methyl-4,5-dihydrothieno[2,3-c]pyrrol-6-one
SMILESCc1cc2c(s1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.Cc1cc2c(s1)C(=O)NC2
InChIInChI=1S/C17H15N5OS.C7H7NOS/c1-10-7-11-8-21(17(23)15(11)24-10)14-4-2-3-13(19-14)16-20-18-9-22(16)12-5-6-12;1-4-2-5-3-8-7(9)6(5)10-4/h2-4,7,9,12H,5-6,8H2,1H3;2H,3H2,1H3,(H,8,9)
InChIKeyVHUDTTIXOJKRMN-UHFFFAOYSA-N
MW490.61 g/mol
LogP4.51
Rot. Bonds3

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

5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methyl-4H-thieno[2,3-c]pyrrol-6-one;2-methyl-4,5-dihydrothieno[2,3-c]pyrrol-6-one (PubChem CID 161302352) has the molecular formula C24H22N6O2S2 and a molecular weight of 490.61 g/mol. Its IUPAC name is 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methyl-4H-thieno[2,3-c]pyrrol-6-one;2-methyl-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-methyl-4H-thieno[2,3-c]pyrrol-6-one;2-methyl-4,5-dihydrothieno[2,3-c]pyrrol-6-one
PubChem CID161302352
Molecular FormulaC24H22N6O2S2
Molecular Weight490.61 g/mol
Exact Mass490.12
IUPAC Name5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methyl-4H-thieno[2,3-c]pyrrol-6-one;2-methyl-4,5-dihydrothieno[2,3-c]pyrrol-6-one
SMILESCc1cc2c(s1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.Cc1cc2c(s1)C(=O)NC2
InChIInChI=1S/C17H15N5OS.C7H7NOS/c1-10-7-11-8-21(17(23)15(11)24-10)14-4-2-3-13(19-14)16-20-18-9-22(16)12-5-6-12;1-4-2-5-3-8-7(9)6(5)10-4/h2-4,7,9,12H,5-6,8H2,1H3;2H,3H2,1H3,(H,8,9)
InChIKeyVHUDTTIXOJKRMN-UHFFFAOYSA-N
XLogP4.51
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methoxy-4H-thieno[2,3-c]pyrrol-6-one;2-methoxy-4,5-dihydrothieno[2,3-c]pyrrol-6-one
CID 157296043
2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-4-yl-3H-isoindol-1-one
CID 135351043
5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-methylidene-4H-thieno[2,3-c]pyrrole
CID 139307706
4-[2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-oxo-1H-isoindol-5-yl]benzoic acid
CID 146559529
3-bromo-5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-4H-thieno[2,3-c]pyrrol-6-one;5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(2-methylpropylamino)-4H-thieno[2,3-c]pyrrol-6-one;2-methylpropan-1-amine
CID 158561612
2-[6-(4-methyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3H-isoindol-1-one
CID 157038799
4-[(1S)-1-aminopropyl]-2-[6-(4-cyclobutyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylcyclopropyl)-3H-pyrrolo[3,4-c]pyridin-1-one;ethane
CID 157026938
2-bromo-6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridine;6-bromo-2,3-dihydroisoindol-1-one;2-bromo-1-methylimidazole;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-(1-methylimidazol-2-yl)-3H-isoindol-1-one;6-(1-methylimidazol-2-yl)-2,3-dihydroisoindol-1-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoindol-1-one;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
CID 158314233
7-[[6-(4-cyclopentyl-1,2,4-triazol-3-yl)-2-pyridinyl]amino]-2,3-dihydroisoindol-1-one
CID 138524366
5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-ethyl-4H-thieno[2,3-c]pyrrol-6-one;5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methoxy-4H-thieno[2,3-c]pyrrol-6-one;5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(2-methylpropylamino)-4H-thieno[2,3-c]pyrrol-6-one;5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-methyl-4H-thieno[2,3-c]pyrrol-6-one;5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-(oxan-4-yl)-4H-thieno[2,3-c]pyrrol-6-one;5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-3-phenyl-4H-thieno[2,3-c]pyrrol-6-one;methane
CID 159129958
2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indazol-3-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-methylindazol-3-one;methane
CID 157448485
[3-oxo-2-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-isoindol-5-yl]boronic acid
CID 148580494

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methyl-4H-thieno[2,3-c]pyrrol-6-one;2-methyl-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-methyl-4H-thieno[2,3-c]pyrrol-6-one;2-methyl-4,5-dihydrothieno[2,3-c]pyrrol-6-one (CID 161302352) is 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methyl-4H-thieno[2,3-c]pyrrol-6-one;2-methyl-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-methyl-4H-thieno[2,3-c]pyrrol-6-one;2-methyl-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-methyl-4H-thieno[2,3-c]pyrrol-6-one;2-methyl-4,5-dihydrothieno[2,3-c]pyrrol-6-one is Cc1cc2c(s1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.Cc1cc2c(s1)C(=O)NC2.
What is the InChIKey of 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methyl-4H-thieno[2,3-c]pyrrol-6-one;2-methyl-4,5-dihydrothieno[2,3-c]pyrrol-6-one?
The InChIKey is VHUDTTIXOJKRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5OS.C7H7NOS/c1-10-7-11-8-21(17(23)15(11)24-10)14-4-2-3-13(19-14)16-20-18-9-22(16)12-5-6-12;1-4-2-5-3-8-7(9)6(5)10-4/h2-4,7,9,12H,5-6,8H2,1H3;2H,3H2,1H3,(H,8,9).
What are the key properties of 5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methyl-4H-thieno[2,3-c]pyrrol-6-one;2-methyl-4,5-dihydrothieno[2,3-c]pyrrol-6-one?
5-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-methyl-4H-thieno[2,3-c]pyrrol-6-one;2-methyl-4,5-dihydrothieno[2,3-c]pyrrol-6-one has a molecular weight of 490.61 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 8 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-methyl-4H-thieno[2,3-c]pyrrol-6-one;2-methyl-4,5-dihydrothieno[2,3-c]pyrrol-6-one is sourced from PubChem (CID 161302352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).