1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy-di(thiophen-3-yl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide

C23H23N7O3S2 — CID 168678825

About 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy-di(thiophen-3-yl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide

1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy-di(thiophen-3-yl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 168678825) has the molecular formula C23H23N7O3S2 and a molecular weight of 509.62 g/mol. Its IUPAC name is 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy-di(thiophen-3-yl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy-di(thiophen-3-yl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 168678825
• Molecular Formula: C23H23N7O3S2
• Molecular Weight: 509.62 g/mol
• Exact Mass: 509.13
• IUPAC Name: 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy-di(thiophen-3-yl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide
• SMILES: CCn1cnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccsc2)c2ccsc2)n3CC)n1
• InChI: InChI=1S/C23H23N7O3S2/c1-4-29-13-24-22(28-29)27-19(31)16-10-17-18(25-20(16)33-3)26-21(30(17)5-2)23(32,14-6-8-34-11-14)15-7-9-35-12-15/h6-13,32H,4-5H2,1-3H3,(H,27,28,31)
• InChIKey: ZHJQSVNLHNLEPE-UHFFFAOYSA-N
• XLogP: 3.73
• TPSA: 119.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.62
LogP ≤ 5	3.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy-di(thiophen-3-yl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide?

The IUPAC name of 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy-di(thiophen-3-yl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide (CID 168678825) is 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy-di(thiophen-3-yl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide.

What is the SMILES notation for 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy-di(thiophen-3-yl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide?

The canonical SMILES for 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy-di(thiophen-3-yl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide is CCn1cnc(NC(=O)c2cc3c(nc2OC)nc(C(O)(c2ccsc2)c2ccsc2)n3CC)n1.

What is the InChIKey of 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy-di(thiophen-3-yl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide?

The InChIKey is ZHJQSVNLHNLEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O3S2/c1-4-29-13-24-22(28-29)27-19(31)16-10-17-18(25-20(16)33-3)26-21(30(17)5-2)23(32,14-6-8-34-11-14)15-7-9-35-12-15/h6-13,32H,4-5H2,1-3H3,(H,27,28,31).

What are the key properties of 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy-di(thiophen-3-yl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide?

1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy-di(thiophen-3-yl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 509.62 g/mol, XLogP of 3.73, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy-di(thiophen-3-yl)methyl]-5-methoxyimidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 168678825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).