ethane;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;propane

C35H54N6O2 — CID 143916044

About ethane;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;propane

ethane;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;propane (PubChem CID 143916044) has the molecular formula C35H54N6O2 and a molecular weight of 590.86 g/mol. Its IUPAC name is ethane;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;propane.

Molecular Properties

• Compound Name: ethane;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;propane
• PubChem CID: 143916044
• Molecular Formula: C35H54N6O2
• Molecular Weight: 590.86 g/mol
• Exact Mass: 590.43
• IUPAC Name: ethane;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;propane
• SMILES: CC.CC.CC.CCC.COc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CCN(C)CC5)cc4)nc23)cc1
• InChI: InChI=1S/C26H28N6O2.C3H8.3C2H6/c1-31-16-13-21(14-17-31)27-25(33)19-5-9-20(10-6-19)28-26-29-24-23(4-3-15-32(24)30-26)18-7-11-22(34-2)12-8-18;1-3-2;3*1-2/h3-12,15,21H,13-14,16-17H2,1-2H3,(H,27,33)(H,28,30);3H2,1-2H3;3*1-2H3
• InChIKey: MXTFFXYHBGVBJQ-UHFFFAOYSA-N
• XLogP: 8.47
• TPSA: 83.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.86
LogP ≤ 5	8.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethane;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;propane?

The IUPAC name of ethane;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;propane (CID 143916044) is ethane;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;propane.

What is the SMILES notation for ethane;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;propane?

The canonical SMILES for ethane;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;propane is CC.CC.CC.CCC.COc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CCN(C)CC5)cc4)nc23)cc1.

What is the InChIKey of ethane;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;propane?

The InChIKey is MXTFFXYHBGVBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O2.C3H8.3C2H6/c1-31-16-13-21(14-17-31)27-25(33)19-5-9-20(10-6-19)28-26-29-24-23(4-3-15-32(24)30-26)18-7-11-22(34-2)12-8-18;1-3-2;3*1-2/h3-12,15,21H,13-14,16-17H2,1-2H3,(H,27,33)(H,28,30);3H2,1-2H3;3*1-2H3.

What are the key properties of ethane;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;propane?

ethane;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;propane has a molecular weight of 590.86 g/mol, XLogP of 8.47, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;4-[[8-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(1-methylpiperidin-4-yl)benzamide;propane is sourced from PubChem (CID 143916044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).