6-(azetidin-1-yl)-2-[5-[1-[4-fluoro-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-1-yl]ethenyl]-2,4-dimethylphenyl]-3H-imidazo[4,5-c]pyridine

C29H34FN5 — CID 134513256

About 6-(azetidin-1-yl)-2-[5-[1-[4-fluoro-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-1-yl]ethenyl]-2,4-dimethylphenyl]-3H-imidazo[4,5-c]pyridine

6-(azetidin-1-yl)-2-[5-[1-[4-fluoro-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-1-yl]ethenyl]-2,4-dimethylphenyl]-3H-imidazo[4,5-c]pyridine (PubChem CID 134513256) has the molecular formula C29H34FN5 and a molecular weight of 471.62 g/mol. Its IUPAC name is 6-(azetidin-1-yl)-2-[5-[1-[4-fluoro-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-1-yl]ethenyl]-2,4-dimethylphenyl]-3H-imidazo[4,5-c]pyridine.

Molecular Properties

• Compound Name: 6-(azetidin-1-yl)-2-[5-[1-[4-fluoro-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-1-yl]ethenyl]-2,4-dimethylphenyl]-3H-imidazo[4,5-c]pyridine
• PubChem CID: 134513256
• Molecular Formula: C29H34FN5
• Molecular Weight: 471.62 g/mol
• Exact Mass: 471.28
• IUPAC Name: 6-(azetidin-1-yl)-2-[5-[1-[4-fluoro-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-1-yl]ethenyl]-2,4-dimethylphenyl]-3H-imidazo[4,5-c]pyridine
• SMILES: C=C(c1cc(-c2nc3cc(N4CCC4)ncc3[nH]2)c(C)cc1C)N1CCC(F)(C(=C)/C=C\C)CC1
• InChI: InChI=1S/C29H34FN5/c1-6-8-21(4)29(30)9-13-34(14-10-29)22(5)23-16-24(20(3)15-19(23)2)28-32-25-17-27(35-11-7-12-35)31-18-26(25)33-28/h6,8,15-18H,4-5,7,9-14H2,1-3H3,(H,32,33)/b8-6-
• InChIKey: RIHKXFGSQVKHCU-VURMDHGXSA-N
• XLogP: 6.36
• TPSA: 48.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.62
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	1
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 6-(azetidin-1-yl)-2-[5-[1-[4-fluoro-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-1-yl]ethenyl]-2,4-dimethylphenyl]-3H-imidazo[4,5-c]pyridine?

The IUPAC name of 6-(azetidin-1-yl)-2-[5-[1-[4-fluoro-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-1-yl]ethenyl]-2,4-dimethylphenyl]-3H-imidazo[4,5-c]pyridine (CID 134513256) is 6-(azetidin-1-yl)-2-[5-[1-[4-fluoro-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-1-yl]ethenyl]-2,4-dimethylphenyl]-3H-imidazo[4,5-c]pyridine.

What is the SMILES notation for 6-(azetidin-1-yl)-2-[5-[1-[4-fluoro-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-1-yl]ethenyl]-2,4-dimethylphenyl]-3H-imidazo[4,5-c]pyridine?

The canonical SMILES for 6-(azetidin-1-yl)-2-[5-[1-[4-fluoro-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-1-yl]ethenyl]-2,4-dimethylphenyl]-3H-imidazo[4,5-c]pyridine is C=C(c1cc(-c2nc3cc(N4CCC4)ncc3[nH]2)c(C)cc1C)N1CCC(F)(C(=C)/C=C\C)CC1.

What is the InChIKey of 6-(azetidin-1-yl)-2-[5-[1-[4-fluoro-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-1-yl]ethenyl]-2,4-dimethylphenyl]-3H-imidazo[4,5-c]pyridine?

The InChIKey is RIHKXFGSQVKHCU-VURMDHGXSA-N. The full InChI is InChI=1S/C29H34FN5/c1-6-8-21(4)29(30)9-13-34(14-10-29)22(5)23-16-24(20(3)15-19(23)2)28-32-25-17-27(35-11-7-12-35)31-18-26(25)33-28/h6,8,15-18H,4-5,7,9-14H2,1-3H3,(H,32,33)/b8-6-.

What are the key properties of 6-(azetidin-1-yl)-2-[5-[1-[4-fluoro-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-1-yl]ethenyl]-2,4-dimethylphenyl]-3H-imidazo[4,5-c]pyridine?

6-(azetidin-1-yl)-2-[5-[1-[4-fluoro-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-1-yl]ethenyl]-2,4-dimethylphenyl]-3H-imidazo[4,5-c]pyridine has a molecular weight of 471.62 g/mol, XLogP of 6.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(azetidin-1-yl)-2-[5-[1-[4-fluoro-4-[(3Z)-penta-1,3-dien-2-yl]piperidin-1-yl]ethenyl]-2,4-dimethylphenyl]-3H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 134513256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).