ethyl 2-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]cyclopropane-1-carboxylate

C23H26N4O2S — CID 166077072

About ethyl 2-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]cyclopropane-1-carboxylate

ethyl 2-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]cyclopropane-1-carboxylate (PubChem CID 166077072) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is ethyl 2-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]cyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]cyclopropane-1-carboxylate
• PubChem CID: 166077072
• Molecular Formula: C23H26N4O2S
• Molecular Weight: 422.55 g/mol
• Exact Mass: 422.18
• IUPAC Name: ethyl 2-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]cyclopropane-1-carboxylate
• SMILES: CCOC(=O)C1CC1c1sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c2c1C
• InChI: InChI=1S/C23H26N4O2S/c1-6-29-23(28)16-8-15(16)20-13(5)18-17(11(2)3)19(26-22(18)30-20)14-7-12(4)21-24-10-25-27(21)9-14/h7,9-11,15-16,26H,6,8H2,1-5H3
• InChIKey: JBZWYVWZDRWOJY-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 72.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.55
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]cyclopropane-1-carboxylate?

The IUPAC name of ethyl 2-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]cyclopropane-1-carboxylate (CID 166077072) is ethyl 2-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]cyclopropane-1-carboxylate.

What is the SMILES notation for ethyl 2-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]cyclopropane-1-carboxylate?

The canonical SMILES for ethyl 2-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]cyclopropane-1-carboxylate is CCOC(=O)C1CC1c1sc2[nH]c(-c3cc(C)c4ncnn4c3)c(C(C)C)c2c1C.

What is the InChIKey of ethyl 2-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]cyclopropane-1-carboxylate?

The InChIKey is JBZWYVWZDRWOJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-6-29-23(28)16-8-15(16)20-13(5)18-17(11(2)3)19(26-22(18)30-20)14-7-12(4)21-24-10-25-27(21)9-14/h7,9-11,15-16,26H,6,8H2,1-5H3.

What are the key properties of ethyl 2-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]cyclopropane-1-carboxylate?

ethyl 2-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]cyclopropane-1-carboxylate has a molecular weight of 422.55 g/mol, XLogP of 5.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[3-methyl-5-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-4-propan-2-yl-6H-thieno[2,3-b]pyrrol-2-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 166077072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).