N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

C18H18FN9O — CID 154839872

About N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 154839872) has the molecular formula C18H18FN9O and a molecular weight of 395.40 g/mol. Its IUPAC name is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
• PubChem CID: 154839872
• Molecular Formula: C18H18FN9O
• Molecular Weight: 395.40 g/mol
• Exact Mass: 395.16
• IUPAC Name: N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide
• SMILES: O=C(NCc1nc2ccc(F)cc2[nH]1)C1CCN(c2ccc3nnnn3n2)CC1
• InChI: InChI=1S/C18H18FN9O/c19-12-1-2-13-14(9-12)22-15(21-13)10-20-18(29)11-5-7-27(8-6-11)17-4-3-16-23-25-26-28(16)24-17/h1-4,9,11H,5-8,10H2,(H,20,29)(H,21,22)
• InChIKey: BFFFWQDXZFMBDJ-UHFFFAOYSA-N
• XLogP: 1.07
• TPSA: 116.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.40
LogP ≤ 5	1.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?

The IUPAC name of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 154839872) is N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide.

What is the SMILES notation for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?

The canonical SMILES for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is O=C(NCc1nc2ccc(F)cc2[nH]1)C1CCN(c2ccc3nnnn3n2)CC1.

What is the InChIKey of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?

The InChIKey is BFFFWQDXZFMBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN9O/c19-12-1-2-13-14(9-12)22-15(21-13)10-20-18(29)11-5-7-27(8-6-11)17-4-3-16-23-25-26-28(16)24-17/h1-4,9,11H,5-8,10H2,(H,20,29)(H,21,22).

What are the key properties of N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide?

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 395.40 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-(tetrazolo[1,5-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 154839872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).