2-[1-(3-chloro-2-methylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(furan-2-ylmethyl)acetamide

C22H18ClF3N4O3 — CID 50791460

About 2-[1-(3-chloro-2-methylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(furan-2-ylmethyl)acetamide

2-[1-(3-chloro-2-methylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(furan-2-ylmethyl)acetamide (PubChem CID 50791460) has the molecular formula C22H18ClF3N4O3 and a molecular weight of 478.86 g/mol. Its IUPAC name is 2-[1-(3-chloro-2-methylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-[1-(3-chloro-2-methylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(furan-2-ylmethyl)acetamide
• PubChem CID: 50791460
• Molecular Formula: C22H18ClF3N4O3
• Molecular Weight: 478.86 g/mol
• Exact Mass: 478.10
• IUPAC Name: 2-[1-(3-chloro-2-methylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(furan-2-ylmethyl)acetamide
• SMILES: Cc1c(Cl)cccc1-n1nc(C)c2c(C(F)(F)F)cc(OCC(=O)NCc3ccco3)nc21
• InChI: InChI=1S/C22H18ClF3N4O3/c1-12-16(23)6-3-7-17(12)30-21-20(13(2)29-30)15(22(24,25)26)9-19(28-21)33-11-18(31)27-10-14-5-4-8-32-14/h3-9H,10-11H2,1-2H3,(H,27,31)
• InChIKey: XDTUHAUNMMBYGE-UHFFFAOYSA-N
• XLogP: 5.00
• TPSA: 82.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.86
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-2-methylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(furan-2-ylmethyl)acetamide?

The IUPAC name of 2-[1-(3-chloro-2-methylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(furan-2-ylmethyl)acetamide (CID 50791460) is 2-[1-(3-chloro-2-methylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(furan-2-ylmethyl)acetamide.

What is the SMILES notation for 2-[1-(3-chloro-2-methylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(furan-2-ylmethyl)acetamide?

The canonical SMILES for 2-[1-(3-chloro-2-methylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(furan-2-ylmethyl)acetamide is Cc1c(Cl)cccc1-n1nc(C)c2c(C(F)(F)F)cc(OCC(=O)NCc3ccco3)nc21.

What is the InChIKey of 2-[1-(3-chloro-2-methylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(furan-2-ylmethyl)acetamide?

The InChIKey is XDTUHAUNMMBYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N4O3/c1-12-16(23)6-3-7-17(12)30-21-20(13(2)29-30)15(22(24,25)26)9-19(28-21)33-11-18(31)27-10-14-5-4-8-32-14/h3-9H,10-11H2,1-2H3,(H,27,31).

What are the key properties of 2-[1-(3-chloro-2-methylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(furan-2-ylmethyl)acetamide?

2-[1-(3-chloro-2-methylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(furan-2-ylmethyl)acetamide has a molecular weight of 478.86 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(3-chloro-2-methylphenyl)-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 50791460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).