4-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline

C₂₃H₁₈FN₅S — CID 155547073

About 4-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline

4-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline (PubChem CID 155547073) has the molecular formula C₂₃H₁₈FN₅S and a molecular weight of 415.50 g/mol. Its IUPAC name is 4-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline.

Molecular Properties

• Compound Name: 4-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline
• PubChem CID: 155547073
• Molecular Formula: C₂₃H₁₈FN₅S
• Molecular Weight: 415.50 g/mol
• Exact Mass: 415.13
• IUPAC Name: 4-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline
• SMILES: Cc1cccc(-c2nc(CNc3ccc(F)cc3)[nH]c2-c2cc3cnccc3s2)n1
• InChI: InChI=1S/C23H18FN5S/c1-14-3-2-4-18(27-14)22-23(20-11-15-12-25-10-9-19(15)30-20)29-21(28-22)13-26-17-7-5-16(24)6-8-17/h2-12,26H,13H2,1H3,(H,28,29)
• InChIKey: KDIDAORRLMVWGF-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 66.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	415.50
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline?

The IUPAC name of 4-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline (CID 155547073) is 4-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline.

What is the SMILES notation for 4-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline?

The canonical SMILES for 4-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline is Cc1cccc(-c2nc(CNc3ccc(F)cc3)[nH]c2-c2cc3cnccc3s2)n1.

What is the InChIKey of 4-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline?

The InChIKey is KDIDAORRLMVWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5S/c1-14-3-2-4-18(27-14)22-23(20-11-15-12-25-10-9-19(15)30-20)29-21(28-22)13-26-17-7-5-16(24)6-8-17/h2-12,26H,13H2,1H3,(H,28,29).

What are the key properties of 4-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline?

4-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline has a molecular weight of 415.50 g/mol, XLogP of 5.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[[4-(6-methyl-2-pyridinyl)-5-thieno[3,2-c]pyridin-2-yl-1H-imidazol-2-yl]methyl]aniline is sourced from PubChem (CID 155547073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155547073 — identifiers, structure, computed properties (public domain)

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