3-cyano-N-[3-(1-methylazetidin-3-yl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide;ethane

C26H31N7O2 — CID 143413872

About 3-cyano-N-[3-(1-methylazetidin-3-yl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide;ethane

3-cyano-N-[3-(1-methylazetidin-3-yl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide;ethane (PubChem CID 143413872) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 3-cyano-N-[3-(1-methylazetidin-3-yl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide;ethane.

Molecular Properties

• Compound Name: 3-cyano-N-[3-(1-methylazetidin-3-yl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide;ethane
• PubChem CID: 143413872
• Molecular Formula: C26H31N7O2
• Molecular Weight: 473.58 g/mol
• Exact Mass: 473.25
• IUPAC Name: 3-cyano-N-[3-(1-methylazetidin-3-yl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide;ethane
• SMILES: CC.CN1CC(n2c(NC(=O)c3cccc(C#N)c3)nc3cc(C(=O)N4CCCCC4)cnc32)C1
• InChI: InChI=1S/C24H25N7O2.C2H6/c1-29-14-19(15-29)31-21-20(11-18(13-26-21)23(33)30-8-3-2-4-9-30)27-24(31)28-22(32)17-7-5-6-16(10-17)12-25;1-2/h5-7,10-11,13,19H,2-4,8-9,14-15H2,1H3,(H,27,28,32);1-2H3
• InChIKey: NKNKIPDYGUYFIL-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 107.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.58
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-(1-methylazetidin-3-yl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide;ethane?

The IUPAC name of 3-cyano-N-[3-(1-methylazetidin-3-yl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide;ethane (CID 143413872) is 3-cyano-N-[3-(1-methylazetidin-3-yl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide;ethane.

What is the SMILES notation for 3-cyano-N-[3-(1-methylazetidin-3-yl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide;ethane?

The canonical SMILES for 3-cyano-N-[3-(1-methylazetidin-3-yl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide;ethane is CC.CN1CC(n2c(NC(=O)c3cccc(C#N)c3)nc3cc(C(=O)N4CCCCC4)cnc32)C1.

What is the InChIKey of 3-cyano-N-[3-(1-methylazetidin-3-yl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide;ethane?

The InChIKey is NKNKIPDYGUYFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2.C2H6/c1-29-14-19(15-29)31-21-20(11-18(13-26-21)23(33)30-8-3-2-4-9-30)27-24(31)28-22(32)17-7-5-6-16(10-17)12-25;1-2/h5-7,10-11,13,19H,2-4,8-9,14-15H2,1H3,(H,27,28,32);1-2H3.

What are the key properties of 3-cyano-N-[3-(1-methylazetidin-3-yl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide;ethane?

3-cyano-N-[3-(1-methylazetidin-3-yl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide;ethane has a molecular weight of 473.58 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyano-N-[3-(1-methylazetidin-3-yl)-6-(piperidine-1-carbonyl)imidazo[4,5-b]pyridin-2-yl]benzamide;ethane is sourced from PubChem (CID 143413872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).