5-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carbonitrile

C25H24N6O2S — CID 170265784

About 5-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carbonitrile

5-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carbonitrile (PubChem CID 170265784) has the molecular formula C25H24N6O2S and a molecular weight of 472.57 g/mol. Its IUPAC name is 5-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carbonitrile.

Molecular Properties

• Compound Name: 5-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carbonitrile
• PubChem CID: 170265784
• Molecular Formula: C25H24N6O2S
• Molecular Weight: 472.57 g/mol
• Exact Mass: 472.17
• IUPAC Name: 5-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carbonitrile
• SMILES: Cc1ccc(NC2CCN(S(=O)(=O)c3ccc(-c4ccc5[nH]nc(C#N)c5c4)cc3)CC2)nc1
• InChI: InChI=1S/C25H24N6O2S/c1-17-2-9-25(27-16-17)28-20-10-12-31(13-11-20)34(32,33)21-6-3-18(4-7-21)19-5-8-23-22(14-19)24(15-26)30-29-23/h2-9,14,16,20H,10-13H2,1H3,(H,27,28)(H,29,30)
• InChIKey: SVHDOFNUSXPTPK-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 114.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.57
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carbonitrile?

The IUPAC name of 5-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carbonitrile (CID 170265784) is 5-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carbonitrile.

What is the SMILES notation for 5-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carbonitrile?

The canonical SMILES for 5-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carbonitrile is Cc1ccc(NC2CCN(S(=O)(=O)c3ccc(-c4ccc5[nH]nc(C#N)c5c4)cc3)CC2)nc1.

What is the InChIKey of 5-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carbonitrile?

The InChIKey is SVHDOFNUSXPTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2S/c1-17-2-9-25(27-16-17)28-20-10-12-31(13-11-20)34(32,33)21-6-3-18(4-7-21)19-5-8-23-22(14-19)24(15-26)30-29-23/h2-9,14,16,20H,10-13H2,1H3,(H,27,28)(H,29,30).

What are the key properties of 5-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carbonitrile?

5-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carbonitrile has a molecular weight of 472.57 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-[(5-methyl-2-pyridinyl)amino]piperidin-1-yl]sulfonylphenyl]-1H-indazole-3-carbonitrile is sourced from PubChem (CID 170265784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).