5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide

C26H28FN7O — CID 89458795

About 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide

5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89458795) has the molecular formula C26H28FN7O and a molecular weight of 473.56 g/mol. Its IUPAC name is 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 89458795
• Molecular Formula: C26H28FN7O
• Molecular Weight: 473.56 g/mol
• Exact Mass: 473.23
• IUPAC Name: 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: CN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(N5CCC(C)(F)C5)nc4)c3c2)c1
• InChI: InChI=1S/C26H28FN7O/c1-26(27)8-9-34(16-26)23-7-5-20(14-29-23)30-25(35)24-21-11-18(4-6-22(21)31-32-24)19-10-17(12-28-13-19)15-33(2)3/h4-7,10-14H,8-9,15-16H2,1-3H3,(H,30,35)(H,31,32)
• InChIKey: MCDFBWUNFRMZLV-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 90.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.56
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89458795) is 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide is CN(C)Cc1cncc(-c2ccc3[nH]nc(C(=O)Nc4ccc(N5CCC(C)(F)C5)nc4)c3c2)c1.

What is the InChIKey of 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is MCDFBWUNFRMZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O/c1-26(27)8-9-34(16-26)23-7-5-20(14-29-23)30-25(35)24-21-11-18(4-6-22(21)31-32-24)19-10-17(12-28-13-19)15-33(2)3/h4-7,10-14H,8-9,15-16H2,1-3H3,(H,30,35)(H,31,32).

What are the key properties of 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide?

5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 473.56 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-[6-(3-fluoro-3-methylpyrrolidin-1-yl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89458795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).