1-methyl-N-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]methyl]piperidin-4-amine

C25H34N6 — CID 123857557

About 1-methyl-N-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]methyl]piperidin-4-amine

1-methyl-N-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]methyl]piperidin-4-amine (PubChem CID 123857557) has the molecular formula C25H34N6 and a molecular weight of 418.59 g/mol. Its IUPAC name is 1-methyl-N-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]methyl]piperidin-4-amine.

Molecular Properties

• Compound Name: 1-methyl-N-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]methyl]piperidin-4-amine
• PubChem CID: 123857557
• Molecular Formula: C25H34N6
• Molecular Weight: 418.59 g/mol
• Exact Mass: 418.28
• IUPAC Name: 1-methyl-N-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]methyl]piperidin-4-amine
• SMILES: CN1CCC(NCc2[nH]nc3ccc(-c4cncc(CN5CCCCC5)c4)cc23)CC1
• InChI: InChI=1S/C25H34N6/c1-30-11-7-22(8-12-30)27-17-25-23-14-20(5-6-24(23)28-29-25)21-13-19(15-26-16-21)18-31-9-3-2-4-10-31/h5-6,13-16,22,27H,2-4,7-12,17-18H2,1H3,(H,28,29)
• InChIKey: DOIPAEHJAPJYKL-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 60.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.59
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]methyl]piperidin-4-amine?

The IUPAC name of 1-methyl-N-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]methyl]piperidin-4-amine (CID 123857557) is 1-methyl-N-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]methyl]piperidin-4-amine.

What is the SMILES notation for 1-methyl-N-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]methyl]piperidin-4-amine?

The canonical SMILES for 1-methyl-N-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]methyl]piperidin-4-amine is CN1CCC(NCc2[nH]nc3ccc(-c4cncc(CN5CCCCC5)c4)cc23)CC1.

What is the InChIKey of 1-methyl-N-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]methyl]piperidin-4-amine?

The InChIKey is DOIPAEHJAPJYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6/c1-30-11-7-22(8-12-30)27-17-25-23-14-20(5-6-24(23)28-29-25)21-13-19(15-26-16-21)18-31-9-3-2-4-10-31/h5-6,13-16,22,27H,2-4,7-12,17-18H2,1H3,(H,28,29).

What are the key properties of 1-methyl-N-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]methyl]piperidin-4-amine?

1-methyl-N-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]methyl]piperidin-4-amine has a molecular weight of 418.59 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-N-[[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-indazol-3-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 123857557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).