3,3-dimethyl-N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2H-pyrrolo[2,3-b]pyridine-1-carboxamide

C22H26N6O — CID 175234190

About 3,3-dimethyl-N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2H-pyrrolo[2,3-b]pyridine-1-carboxamide

3,3-dimethyl-N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2H-pyrrolo[2,3-b]pyridine-1-carboxamide (PubChem CID 175234190) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 3,3-dimethyl-N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2H-pyrrolo[2,3-b]pyridine-1-carboxamide.

Molecular Properties

• Compound Name: 3,3-dimethyl-N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2H-pyrrolo[2,3-b]pyridine-1-carboxamide
• PubChem CID: 175234190
• Molecular Formula: C22H26N6O
• Molecular Weight: 390.49 g/mol
• Exact Mass: 390.22
• IUPAC Name: 3,3-dimethyl-N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2H-pyrrolo[2,3-b]pyridine-1-carboxamide
• SMILES: CC(Cc1nncn1C)c1cccc(NC(=O)N2CC(C)(C)c3cccnc32)c1
• InChI: InChI=1S/C22H26N6O/c1-15(11-19-26-24-14-27(19)4)16-7-5-8-17(12-16)25-21(29)28-13-22(2,3)18-9-6-10-23-20(18)28/h5-10,12,14-15H,11,13H2,1-4H3,(H,25,29)
• InChIKey: HIJYRJCFBCUYIJ-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.49
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2H-pyrrolo[2,3-b]pyridine-1-carboxamide?

The IUPAC name of 3,3-dimethyl-N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2H-pyrrolo[2,3-b]pyridine-1-carboxamide (CID 175234190) is 3,3-dimethyl-N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2H-pyrrolo[2,3-b]pyridine-1-carboxamide.

What is the SMILES notation for 3,3-dimethyl-N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2H-pyrrolo[2,3-b]pyridine-1-carboxamide?

The canonical SMILES for 3,3-dimethyl-N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2H-pyrrolo[2,3-b]pyridine-1-carboxamide is CC(Cc1nncn1C)c1cccc(NC(=O)N2CC(C)(C)c3cccnc32)c1.

What is the InChIKey of 3,3-dimethyl-N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2H-pyrrolo[2,3-b]pyridine-1-carboxamide?

The InChIKey is HIJYRJCFBCUYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-15(11-19-26-24-14-27(19)4)16-7-5-8-17(12-16)25-21(29)28-13-22(2,3)18-9-6-10-23-20(18)28/h5-10,12,14-15H,11,13H2,1-4H3,(H,25,29).

What are the key properties of 3,3-dimethyl-N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2H-pyrrolo[2,3-b]pyridine-1-carboxamide?

3,3-dimethyl-N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2H-pyrrolo[2,3-b]pyridine-1-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,3-dimethyl-N-[3-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]phenyl]-2H-pyrrolo[2,3-b]pyridine-1-carboxamide is sourced from PubChem (CID 175234190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).