5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide

C26H25F2N5O — CID 118390932

About 5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide

5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide (PubChem CID 118390932) has the molecular formula C26H25F2N5O and a molecular weight of 461.52 g/mol. Its IUPAC name is 5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide
• PubChem CID: 118390932
• Molecular Formula: C26H25F2N5O
• Molecular Weight: 461.52 g/mol
• Exact Mass: 461.20
• IUPAC Name: 5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide
• SMILES: Cc1cccnc1NC(=O)c1n[nH]c2ccc(-c3cc(CN4CCCCC4)cc(F)c3F)cc12
• InChI: InChI=1S/C26H25F2N5O/c1-16-6-5-9-29-25(16)30-26(34)24-20-14-18(7-8-22(20)31-32-24)19-12-17(13-21(27)23(19)28)15-33-10-3-2-4-11-33/h5-9,12-14H,2-4,10-11,15H2,1H3,(H,31,32)(H,29,30,34)
• InChIKey: ICDYDNRUSGZOMC-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 73.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.52
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide?

The IUPAC name of 5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide (CID 118390932) is 5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide.

What is the SMILES notation for 5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide?

The canonical SMILES for 5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide is Cc1cccnc1NC(=O)c1n[nH]c2ccc(-c3cc(CN4CCCCC4)cc(F)c3F)cc12.

What is the InChIKey of 5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide?

The InChIKey is ICDYDNRUSGZOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O/c1-16-6-5-9-29-25(16)30-26(34)24-20-14-18(7-8-22(20)31-32-24)19-12-17(13-21(27)23(19)28)15-33-10-3-2-4-11-33/h5-9,12-14H,2-4,10-11,15H2,1H3,(H,31,32)(H,29,30,34).

What are the key properties of 5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide?

5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide has a molecular weight of 461.52 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2,3-difluoro-5-(piperidin-1-ylmethyl)phenyl]-N-(3-methyl-2-pyridinyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 118390932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).