ethane;ethene;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(methylamino)-3-pyridinyl]-1H-indazole-3-carboxamide

C31H41N7O2 — CID 144555156

About ethane;ethene;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(methylamino)-3-pyridinyl]-1H-indazole-3-carboxamide

ethane;ethene;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(methylamino)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 144555156) has the molecular formula C31H41N7O2 and a molecular weight of 543.72 g/mol. Its IUPAC name is ethane;ethene;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(methylamino)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: ethane;ethene;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(methylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 144555156
• Molecular Formula: C31H41N7O2
• Molecular Weight: 543.72 g/mol
• Exact Mass: 543.33
• IUPAC Name: ethane;ethene;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(methylamino)-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: C=C.C=C.CC.CNc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(O)CC5)c4)cc23)cn1
• InChI: InChI=1S/C25H27N7O2.C2H6.2C2H4/c1-26-23-5-3-19(14-28-23)29-25(34)24-21-11-17(2-4-22(21)30-31-24)18-10-16(12-27-13-18)15-32-8-6-20(33)7-9-32;3*1-2/h2-5,10-14,20,33H,6-9,15H2,1H3,(H,26,28)(H,29,34)(H,30,31);1-2H3;2*1-2H2
• InChIKey: WCPAXSHGZZLYHE-UHFFFAOYSA-N
• XLogP: 5.90
• TPSA: 119.06 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.72
LogP ≤ 5	5.90
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(methylamino)-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of ethane;ethene;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(methylamino)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 144555156) is ethane;ethene;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(methylamino)-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for ethane;ethene;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(methylamino)-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for ethane;ethene;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(methylamino)-3-pyridinyl]-1H-indazole-3-carboxamide is C=C.C=C.CC.CNc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCC(O)CC5)c4)cc23)cn1.

What is the InChIKey of ethane;ethene;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(methylamino)-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is WCPAXSHGZZLYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2.C2H6.2C2H4/c1-26-23-5-3-19(14-28-23)29-25(34)24-21-11-17(2-4-22(21)30-31-24)18-10-16(12-27-13-18)15-32-8-6-20(33)7-9-32;3*1-2/h2-5,10-14,20,33H,6-9,15H2,1H3,(H,26,28)(H,29,34)(H,30,31);1-2H3;2*1-2H2.

What are the key properties of ethane;ethene;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(methylamino)-3-pyridinyl]-1H-indazole-3-carboxamide?

ethane;ethene;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(methylamino)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 543.72 g/mol, XLogP of 5.90, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;ethene;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(methylamino)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 144555156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).