6-fluoro-N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C26H26FN7O2 — CID 118381216

About 6-fluoro-N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

6-fluoro-N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118381216) has the molecular formula C26H26FN7O2 and a molecular weight of 487.54 g/mol. Its IUPAC name is 6-fluoro-N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 6-fluoro-N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 118381216
• Molecular Formula: C26H26FN7O2
• Molecular Weight: 487.54 g/mol
• Exact Mass: 487.21
• IUPAC Name: 6-fluoro-N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: CNC(=O)c1ccc(NC(=O)c2n[nH]c3cc(F)c(-c4cncc(CN5CCCCC5)c4)cc23)cn1
• InChI: InChI=1S/C26H26FN7O2/c1-28-25(35)22-6-5-18(14-30-22)31-26(36)24-20-10-19(21(27)11-23(20)32-33-24)17-9-16(12-29-13-17)15-34-7-3-2-4-8-34/h5-6,9-14H,2-4,7-8,15H2,1H3,(H,28,35)(H,31,36)(H,32,33)
• InChIKey: IFYGFCFUZQZBIW-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 115.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.54
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of 6-fluoro-N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 118381216) is 6-fluoro-N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for 6-fluoro-N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for 6-fluoro-N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is CNC(=O)c1ccc(NC(=O)c2n[nH]c3cc(F)c(-c4cncc(CN5CCCCC5)c4)cc23)cn1.

What is the InChIKey of 6-fluoro-N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is IFYGFCFUZQZBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O2/c1-28-25(35)22-6-5-18(14-30-22)31-26(36)24-20-10-19(21(27)11-23(20)32-33-24)17-9-16(12-29-13-17)15-34-7-3-2-4-8-34/h5-6,9-14H,2-4,7-8,15H2,1H3,(H,28,35)(H,31,36)(H,32,33).

What are the key properties of 6-fluoro-N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

6-fluoro-N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 487.54 g/mol, XLogP of 3.76, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).