N-(1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide

C24H20FN5OS — CID 46360187

About N-(1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide

N-(1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide (PubChem CID 46360187) has the molecular formula C24H20FN5OS and a molecular weight of 445.52 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide.

Molecular Properties

• Compound Name: N-(1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
• PubChem CID: 46360187
• Molecular Formula: C24H20FN5OS
• Molecular Weight: 445.52 g/mol
• Exact Mass: 445.14
• IUPAC Name: N-(1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide
• SMILES: O=C(CCCc1nc2cccnc2n1Cc1ccc(F)cc1)Nc1nc2ccccc2s1
• InChI: InChI=1S/C24H20FN5OS/c25-17-12-10-16(11-13-17)15-30-21(27-19-6-4-14-26-23(19)30)8-3-9-22(31)29-24-28-18-5-1-2-7-20(18)32-24/h1-2,4-7,10-14H,3,8-9,15H2,(H,28,29,31)
• InChIKey: LMVUDEMQOXESNX-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.52
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide?

The IUPAC name of N-(1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide (CID 46360187) is N-(1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide.

What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide?

The canonical SMILES for N-(1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide is O=C(CCCc1nc2cccnc2n1Cc1ccc(F)cc1)Nc1nc2ccccc2s1.

What is the InChIKey of N-(1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide?

The InChIKey is LMVUDEMQOXESNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5OS/c25-17-12-10-16(11-13-17)15-30-21(27-19-6-4-14-26-23(19)30)8-3-9-22(31)29-24-28-18-5-1-2-7-20(18)32-24/h1-2,4-7,10-14H,3,8-9,15H2,(H,28,29,31).

What are the key properties of N-(1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide?

N-(1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide has a molecular weight of 445.52 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-benzothiazol-2-yl)-4-[3-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridin-2-yl]butanamide is sourced from PubChem (CID 46360187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).