N-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide

C25H26N6O — CID 118381095

About N-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide

N-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide (PubChem CID 118381095) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is N-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
• PubChem CID: 118381095
• Molecular Formula: C25H26N6O
• Molecular Weight: 426.52 g/mol
• Exact Mass: 426.22
• IUPAC Name: N-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide
• SMILES: CN(C(=O)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12)c1cccnc1
• InChI: InChI=1S/C25H26N6O/c1-30(21-6-5-9-26-16-21)25(32)24-22-13-19(7-8-23(22)28-29-24)20-12-18(14-27-15-20)17-31-10-3-2-4-11-31/h5-9,12-16H,2-4,10-11,17H2,1H3,(H,28,29)
• InChIKey: LHAWFZVSPBMRMC-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 78.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	426.52
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?

The IUPAC name of N-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide (CID 118381095) is N-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide.

What is the SMILES notation for N-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?

The canonical SMILES for N-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide is CN(C(=O)c1n[nH]c2ccc(-c3cncc(CN4CCCCC4)c3)cc12)c1cccnc1.

What is the InChIKey of N-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?

The InChIKey is LHAWFZVSPBMRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c1-30(21-6-5-9-26-16-21)25(32)24-22-13-19(7-8-23(22)28-29-24)20-12-18(14-27-15-20)17-31-10-3-2-4-11-31/h5-9,12-16H,2-4,10-11,17H2,1H3,(H,28,29).

What are the key properties of N-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide?

N-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-3-yl-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).