ethane;2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine;2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine

C58H56N12S3 — CID 166112315

About ethane;2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine;2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine

ethane;2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine;2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine (PubChem CID 166112315) has the molecular formula C58H56N12S3 and a molecular weight of 1017.37 g/mol. Its IUPAC name is ethane;2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine;2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine.

Molecular Properties

• Compound Name: ethane;2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine;2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine
• PubChem CID: 166112315
• Molecular Formula: C58H56N12S3
• Molecular Weight: 1017.37 g/mol
• Exact Mass: 1016.39
• IUPAC Name: ethane;2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine;2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine
• SMILES: CC.CCc1cc(-c2cc3ncccc3s2)n(-c2cccc(C)n2)n1.CCc1cccc(-n2ncc(CC)c2-c2cc3cnccc3s2)n1.Cc1cccc(-n2nc3c(c2-c2cc4ncccc4s2)CCC3)n1
• InChI: InChI=1S/C19H16N4S.C19H18N4S.C18H16N4S.C2H6/c1-12-5-2-9-18(21-12)23-19(13-6-3-7-14(13)22-23)17-11-15-16(24-17)8-4-10-20-15;1-3-13-12-21-23(18-7-5-6-15(4-2)22-18)19(13)17-10-14-11-20-9-8-16(14)24-17;1-3-13-10-15(17-11-14-16(23-17)7-5-9-19-14)22(21-13)18-8-4-6-12(2)20-18;1-2/h2,4-5,8-11H,3,6-7H2,1H3;5-12H,3-4H2,1-2H3;4-11H,3H2,1-2H3;1-2H3
• InChIKey: XGIBWSUBHLSYFX-UHFFFAOYSA-N
• XLogP: 14.45
• TPSA: 130.80 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1017.37
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine;2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine?

The IUPAC name of ethane;2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine;2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine (CID 166112315) is ethane;2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine;2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine.

What is the SMILES notation for ethane;2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine;2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine?

The canonical SMILES for ethane;2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine;2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine is CC.CCc1cc(-c2cc3ncccc3s2)n(-c2cccc(C)n2)n1.CCc1cccc(-n2ncc(CC)c2-c2cc3cnccc3s2)n1.Cc1cccc(-n2nc3c(c2-c2cc4ncccc4s2)CCC3)n1.

What is the InChIKey of ethane;2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine;2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine?

The InChIKey is XGIBWSUBHLSYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4S.C19H18N4S.C18H16N4S.C2H6/c1-12-5-2-9-18(21-12)23-19(13-6-3-7-14(13)22-23)17-11-15-16(24-17)8-4-10-20-15;1-3-13-12-21-23(18-7-5-6-15(4-2)22-18)19(13)17-10-14-11-20-9-8-16(14)24-17;1-3-13-10-15(17-11-14-16(23-17)7-5-9-19-14)22(21-13)18-8-4-6-12(2)20-18;1-2/h2,4-5,8-11H,3,6-7H2,1H3;5-12H,3-4H2,1-2H3;4-11H,3H2,1-2H3;1-2H3.

What are the key properties of ethane;2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine;2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine?

ethane;2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine;2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine has a molecular weight of 1017.37 g/mol, XLogP of 14.45, 9 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-[4-ethyl-1-(6-ethyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-c]pyridine;2-[3-ethyl-1-(6-methyl-2-pyridinyl)pyrazol-5-yl]thieno[3,2-b]pyridine;2-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]thieno[3,2-b]pyridine is sourced from PubChem (CID 166112315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).