2-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]piperidin-1-yl]pyridine-4-carbonitrile

C20H26N6 — CID 72935903

About 2-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]piperidin-1-yl]pyridine-4-carbonitrile

2-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]piperidin-1-yl]pyridine-4-carbonitrile (PubChem CID 72935903) has the molecular formula C20H26N6 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]piperidin-1-yl]pyridine-4-carbonitrile.

Molecular Properties

• Compound Name: 2-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]piperidin-1-yl]pyridine-4-carbonitrile
• PubChem CID: 72935903
• Molecular Formula: C20H26N6
• Molecular Weight: 350.47 g/mol
• Exact Mass: 350.22
• IUPAC Name: 2-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]piperidin-1-yl]pyridine-4-carbonitrile
• SMILES: CN(Cc1n[nH]c2c1CCCC2)C1CCN(c2cc(C#N)ccn2)CC1
• InChI: InChI=1S/C20H26N6/c1-25(14-19-17-4-2-3-5-18(17)23-24-19)16-7-10-26(11-8-16)20-12-15(13-21)6-9-22-20/h6,9,12,16H,2-5,7-8,10-11,14H2,1H3,(H,23,24)
• InChIKey: UYWFNNZRLMNNCF-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 71.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.47
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]piperidin-1-yl]pyridine-4-carbonitrile?

The IUPAC name of 2-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]piperidin-1-yl]pyridine-4-carbonitrile (CID 72935903) is 2-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]piperidin-1-yl]pyridine-4-carbonitrile.

What is the SMILES notation for 2-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]piperidin-1-yl]pyridine-4-carbonitrile?

The canonical SMILES for 2-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]piperidin-1-yl]pyridine-4-carbonitrile is CN(Cc1n[nH]c2c1CCCC2)C1CCN(c2cc(C#N)ccn2)CC1.

What is the InChIKey of 2-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]piperidin-1-yl]pyridine-4-carbonitrile?

The InChIKey is UYWFNNZRLMNNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6/c1-25(14-19-17-4-2-3-5-18(17)23-24-19)16-7-10-26(11-8-16)20-12-15(13-21)6-9-22-20/h6,9,12,16H,2-5,7-8,10-11,14H2,1H3,(H,23,24).

What are the key properties of 2-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]piperidin-1-yl]pyridine-4-carbonitrile?

2-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]piperidin-1-yl]pyridine-4-carbonitrile has a molecular weight of 350.47 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[methyl(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)amino]piperidin-1-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 72935903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).