4-(6-fluoro-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]butanamide

C25H27FN6O2 — CID 155987963

About 4-(6-fluoro-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]butanamide

4-(6-fluoro-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]butanamide (PubChem CID 155987963) has the molecular formula C25H27FN6O2 and a molecular weight of 462.53 g/mol. Its IUPAC name is 4-(6-fluoro-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]butanamide.

Molecular Properties

• Compound Name: 4-(6-fluoro-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]butanamide
• PubChem CID: 155987963
• Molecular Formula: C25H27FN6O2
• Molecular Weight: 462.53 g/mol
• Exact Mass: 462.22
• IUPAC Name: 4-(6-fluoro-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]butanamide
• SMILES: O=C(CCCc1nc2ccc(F)cc2[nH]1)NCC1(O)CCN(c2ccnc3ccncc23)CC1
• InChI: InChI=1S/C25H27FN6O2/c26-17-4-5-20-21(14-17)31-23(30-20)2-1-3-24(33)29-16-25(34)8-12-32(13-9-25)22-7-11-28-19-6-10-27-15-18(19)22/h4-7,10-11,14-15,34H,1-3,8-9,12-13,16H2,(H,29,33)(H,30,31)
• InChIKey: LTRKKAZIXFJNKL-UHFFFAOYSA-N
• XLogP: 3.12
• TPSA: 107.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.53
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]butanamide?

The IUPAC name of 4-(6-fluoro-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]butanamide (CID 155987963) is 4-(6-fluoro-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]butanamide.

What is the SMILES notation for 4-(6-fluoro-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]butanamide?

The canonical SMILES for 4-(6-fluoro-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]butanamide is O=C(CCCc1nc2ccc(F)cc2[nH]1)NCC1(O)CCN(c2ccnc3ccncc23)CC1.

What is the InChIKey of 4-(6-fluoro-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]butanamide?

The InChIKey is LTRKKAZIXFJNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6O2/c26-17-4-5-20-21(14-17)31-23(30-20)2-1-3-24(33)29-16-25(34)8-12-32(13-9-25)22-7-11-28-19-6-10-27-15-18(19)22/h4-7,10-11,14-15,34H,1-3,8-9,12-13,16H2,(H,29,33)(H,30,31).

What are the key properties of 4-(6-fluoro-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]butanamide?

4-(6-fluoro-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]butanamide has a molecular weight of 462.53 g/mol, XLogP of 3.12, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-fluoro-1H-benzimidazol-2-yl)-N-[[4-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-4-yl]methyl]butanamide is sourced from PubChem (CID 155987963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).