5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,3,6-trimethylpyrrolo[3,2-b]pyridine;(2Z,4Z,6E)-octa-2,4,6-triene

C27H35N3O — CID 143580333

About 5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,3,6-trimethylpyrrolo[3,2-b]pyridine;(2Z,4Z,6E)-octa-2,4,6-triene

5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,3,6-trimethylpyrrolo[3,2-b]pyridine;(2Z,4Z,6E)-octa-2,4,6-triene (PubChem CID 143580333) has the molecular formula C27H35N3O and a molecular weight of 417.60 g/mol. Its IUPAC name is 5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,3,6-trimethylpyrrolo[3,2-b]pyridine;(2Z,4Z,6E)-octa-2,4,6-triene.

Molecular Properties

• Compound Name: 5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,3,6-trimethylpyrrolo[3,2-b]pyridine;(2Z,4Z,6E)-octa-2,4,6-triene
• PubChem CID: 143580333
• Molecular Formula: C27H35N3O
• Molecular Weight: 417.60 g/mol
• Exact Mass: 417.28
• IUPAC Name: 5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,3,6-trimethylpyrrolo[3,2-b]pyridine;(2Z,4Z,6E)-octa-2,4,6-triene
• SMILES: C/C=C\C=C/C=C/C.COc1nc(C(C)C)ccc1-c1nc2c(C)cn(C)c2cc1C
• InChI: InChI=1S/C19H23N3O.C8H12/c1-11(2)15-8-7-14(19(20-15)23-6)17-12(3)9-16-18(21-17)13(4)10-22(16)5;1-3-5-7-8-6-4-2/h7-11H,1-6H3;3-8H,1-2H3/b;5-3-,6-4+,8-7-
• InChIKey: QRICNAFRPNNQSB-XTFHDSCWSA-N
• XLogP: 7.08
• TPSA: 39.94 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.60
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,3,6-trimethylpyrrolo[3,2-b]pyridine;(2Z,4Z,6E)-octa-2,4,6-triene?

The IUPAC name of 5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,3,6-trimethylpyrrolo[3,2-b]pyridine;(2Z,4Z,6E)-octa-2,4,6-triene (CID 143580333) is 5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,3,6-trimethylpyrrolo[3,2-b]pyridine;(2Z,4Z,6E)-octa-2,4,6-triene.

What is the SMILES notation for 5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,3,6-trimethylpyrrolo[3,2-b]pyridine;(2Z,4Z,6E)-octa-2,4,6-triene?

The canonical SMILES for 5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,3,6-trimethylpyrrolo[3,2-b]pyridine;(2Z,4Z,6E)-octa-2,4,6-triene is C/C=C\C=C/C=C/C.COc1nc(C(C)C)ccc1-c1nc2c(C)cn(C)c2cc1C.

What is the InChIKey of 5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,3,6-trimethylpyrrolo[3,2-b]pyridine;(2Z,4Z,6E)-octa-2,4,6-triene?

The InChIKey is QRICNAFRPNNQSB-XTFHDSCWSA-N. The full InChI is InChI=1S/C19H23N3O.C8H12/c1-11(2)15-8-7-14(19(20-15)23-6)17-12(3)9-16-18(21-17)13(4)10-22(16)5;1-3-5-7-8-6-4-2/h7-11H,1-6H3;3-8H,1-2H3/b;5-3-,6-4+,8-7-.

What are the key properties of 5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,3,6-trimethylpyrrolo[3,2-b]pyridine;(2Z,4Z,6E)-octa-2,4,6-triene?

5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,3,6-trimethylpyrrolo[3,2-b]pyridine;(2Z,4Z,6E)-octa-2,4,6-triene has a molecular weight of 417.60 g/mol, XLogP of 7.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-methoxy-6-propan-2-yl-3-pyridinyl)-1,3,6-trimethylpyrrolo[3,2-b]pyridine;(2Z,4Z,6E)-octa-2,4,6-triene is sourced from PubChem (CID 143580333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).