1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide

C27H26N6O2 — CID 156855014

About 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide

1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide (PubChem CID 156855014) has the molecular formula C27H26N6O2 and a molecular weight of 466.55 g/mol. Its IUPAC name is 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide
• PubChem CID: 156855014
• Molecular Formula: C27H26N6O2
• Molecular Weight: 466.55 g/mol
• Exact Mass: 466.21
• IUPAC Name: 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide
• SMILES: CCn1cnc(NC(=O)c2cnc3cc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)n1
• InChI: InChI=1S/C27H26N6O2/c1-3-32-18-29-26(31-32)30-25(34)19-15-23-22(28-17-19)16-24(33(23)4-2)27(35,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-18,35H,3-4H2,1-2H3,(H,30,31,34)
• InChIKey: KMTZWKVWQKOOGC-UHFFFAOYSA-N
• XLogP: 4.20
• TPSA: 97.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.55
LogP ≤ 5	4.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide (CID 156855014) is 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide.

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

The canonical SMILES for 1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide is CCn1cnc(NC(=O)c2cnc3cc(C(O)(c4ccccc4)c4ccccc4)n(CC)c3c2)n1.

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

The InChIKey is KMTZWKVWQKOOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O2/c1-3-32-18-29-26(31-32)30-25(34)19-15-23-22(28-17-19)16-24(33(23)4-2)27(35,20-11-7-5-8-12-20)21-13-9-6-10-14-21/h5-18,35H,3-4H2,1-2H3,(H,30,31,34).

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

1-ethyl-N-(1-ethyl-1,2,4-triazol-3-yl)-2-[hydroxy(diphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide has a molecular weight of 466.55 g/mol, XLogP of 4.20, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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(diphenyl)methyl]pyrrolo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 156855014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).