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-methyl-4H-thieno[2,3-c]pyrrol-6-one

C35H32N10O2S2 — CID 142619230

IUPAC5-[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-methyl-4H-thieno[2,3-c]pyrrol-6-one
SMILESCCc1cc2c(s1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.Cc1cc2c(s1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2
InChIInChI=1S/C18H17N5OS.C17H15N5OS/c1-2-13-8-11-9-22(18(24)16(11)25-13)15-5-3-4-14(20-15)17-21-19-10-23(17)12-6-7-12;1-10-7-11-8-21(17(23)15(11)24-10)14-4-2-3-13(19-14)16-20-18-9-22(16)12-5-6-12/h3-5,8,10,12H,2,6-7,9H2,1H3;2-4,7,9,12H,5-6,8H2,1H3
InChIKeySRERTJDNALVZFN-UHFFFAOYSA-N
MW688.84 g/mol
LogP6.66
Rot. Bonds7

About 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-methyl-4H-thieno[2,3-c]pyrrol-6-one

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-methyl-4H-thieno[2,3-c]pyrrol-6-one (PubChem CID 142619230) has the molecular formula C35H32N10O2S2 and a molecular weight of 688.84 g/mol. Its IUPAC name is 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-methyl-4H-thieno[2,3-c]pyrrol-6-one.

Molecular Properties

Compound Name5-[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-methyl-4H-thieno[2,3-c]pyrrol-6-one
PubChem CID142619230
Molecular FormulaC35H32N10O2S2
Molecular Weight688.84 g/mol
Exact Mass688.22
IUPAC Name5-[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-methyl-4H-thieno[2,3-c]pyrrol-6-one
SMILESCCc1cc2c(s1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.Cc1cc2c(s1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2
InChIInChI=1S/C18H17N5OS.C17H15N5OS/c1-2-13-8-11-9-22(18(24)16(11)25-13)15-5-3-4-14(20-15)17-21-19-10-23(17)12-6-7-12;1-10-7-11-8-21(17(23)15(11)24-10)14-4-2-3-13(19-14)16-20-18-9-22(16)12-5-6-12/h3-5,8,10,12H,2,6-7,9H2,1H3;2-4,7,9,12H,5-6,8H2,1H3
InChIKeySRERTJDNALVZFN-UHFFFAOYSA-N
XLogP6.66
TPSA127.82 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500688.84
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 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-methyl-4H-thieno[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-ethyl-4H-thieno[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?
The IUPAC name of 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-methyl-4H-thieno[2,3-c]pyrrol-6-one (CID 142619230) is 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-methyl-4H-thieno[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-ethyl-4H-thieno[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?
The canonical SMILES for 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-methyl-4H-thieno[2,3-c]pyrrol-6-one is CCc1cc2c(s1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.Cc1cc2c(s1)C(=O)N(c1cccc(-c3nncn3C3CC3)n1)C2.
What is the InChIKey of 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-methyl-4H-thieno[2,3-c]pyrrol-6-one?
The InChIKey is SRERTJDNALVZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5OS.C17H15N5OS/c1-2-13-8-11-9-22(18(24)16(11)25-13)15-5-3-4-14(20-15)17-21-19-10-23(17)12-6-7-12;1-10-7-11-8-21(17(23)15(11)24-10)14-4-2-3-13(19-14)16-20-18-9-22(16)12-5-6-12/h3-5,8,10,12H,2,6-7,9H2,1H3;2-4,7,9,12H,5-6,8H2,1H3.
What are the key properties of 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-methyl-4H-thieno[2,3-c]pyrrol-6-one?
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-methyl-4H-thieno[2,3-c]pyrrol-6-one has a molecular weight of 688.84 g/mol, XLogP of 6.66, 7 rotatable bonds, 0 hydrogen bond donors, and 12 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-ethyl-4H-thieno[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 is sourced from PubChem (CID 142619230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).