3-[1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-4-yl]phenol

C23H26N4O2 — CID 134806793

About 3-[1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-4-yl]phenol

3-[1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-4-yl]phenol (PubChem CID 134806793) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-[1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-4-yl]phenol.

Molecular Properties

• Compound Name: 3-[1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-4-yl]phenol
• PubChem CID: 134806793
• Molecular Formula: C23H26N4O2
• Molecular Weight: 390.49 g/mol
• Exact Mass: 390.21
• IUPAC Name: 3-[1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-4-yl]phenol
• SMILES: Cc1noc(C)c1-c1cc2c(cc(C)n2CCN(C)C)c(-c2cccc(O)c2)n1
• InChI: InChI=1S/C23H26N4O2/c1-14-11-19-21(27(14)10-9-26(4)5)13-20(22-15(2)25-29-16(22)3)24-23(19)17-7-6-8-18(28)12-17/h6-8,11-13,28H,9-10H2,1-5H3
• InChIKey: JJUVWGUDAWZMJN-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 67.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.49
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-4-yl]phenol?

The IUPAC name of 3-[1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-4-yl]phenol (CID 134806793) is 3-[1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-4-yl]phenol.

What is the SMILES notation for 3-[1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-4-yl]phenol?

The canonical SMILES for 3-[1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-4-yl]phenol is Cc1noc(C)c1-c1cc2c(cc(C)n2CCN(C)C)c(-c2cccc(O)c2)n1.

What is the InChIKey of 3-[1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-4-yl]phenol?

The InChIKey is JJUVWGUDAWZMJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-14-11-19-21(27(14)10-9-26(4)5)13-20(22-15(2)25-29-16(22)3)24-23(19)17-7-6-8-18(28)12-17/h6-8,11-13,28H,9-10H2,1-5H3.

What are the key properties of 3-[1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-4-yl]phenol?

3-[1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-4-yl]phenol has a molecular weight of 390.49 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpyrrolo[3,2-c]pyridin-4-yl]phenol is sourced from PubChem (CID 134806793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).