N-(3,5-difluoro-2-pyridinyl)-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

C25H24F2N6O — CID 118381576

About N-(3,5-difluoro-2-pyridinyl)-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

N-(3,5-difluoro-2-pyridinyl)-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118381576) has the molecular formula C25H24F2N6O and a molecular weight of 462.50 g/mol. Its IUPAC name is N-(3,5-difluoro-2-pyridinyl)-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(3,5-difluoro-2-pyridinyl)-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 118381576
• Molecular Formula: C25H24F2N6O
• Molecular Weight: 462.50 g/mol
• Exact Mass: 462.20
• IUPAC Name: N-(3,5-difluoro-2-pyridinyl)-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: CC1CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5ncc(F)cc5F)c4c3)c2)CC1
• InChI: InChI=1S/C25H24F2N6O/c1-15-4-6-33(7-5-15)14-16-8-18(12-28-11-16)17-2-3-22-20(9-17)23(32-31-22)25(34)30-24-21(27)10-19(26)13-29-24/h2-3,8-13,15H,4-7,14H2,1H3,(H,31,32)(H,29,30,34)
• InChIKey: IRSYXIYBPPTADL-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 86.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.50
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-2-pyridinyl)-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of N-(3,5-difluoro-2-pyridinyl)-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (CID 118381576) is N-(3,5-difluoro-2-pyridinyl)-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for N-(3,5-difluoro-2-pyridinyl)-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for N-(3,5-difluoro-2-pyridinyl)-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is CC1CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5ncc(F)cc5F)c4c3)c2)CC1.

What is the InChIKey of N-(3,5-difluoro-2-pyridinyl)-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is IRSYXIYBPPTADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N6O/c1-15-4-6-33(7-5-15)14-16-8-18(12-28-11-16)17-2-3-22-20(9-17)23(32-31-22)25(34)30-24-21(27)10-19(26)13-29-24/h2-3,8-13,15H,4-7,14H2,1H3,(H,31,32)(H,29,30,34).

What are the key properties of N-(3,5-difluoro-2-pyridinyl)-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?

N-(3,5-difluoro-2-pyridinyl)-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 462.50 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-difluoro-2-pyridinyl)-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).