2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide

C30H24F5N5O2 — CID 130423502

About 2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide

2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 130423502) has the molecular formula C30H24F5N5O2 and a molecular weight of 581.55 g/mol. Its IUPAC name is 2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

• Compound Name: 2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide
• PubChem CID: 130423502
• Molecular Formula: C30H24F5N5O2
• Molecular Weight: 581.55 g/mol
• Exact Mass: 581.19
• IUPAC Name: 2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide
• SMILES: COc1ccc(Cn2nc(C)c3cc(-c4cc(F)c(CC(=O)Nc5cnc(C)c(C(F)(F)F)c5)cc4F)cnc32)cc1
• InChI: InChI=1S/C30H24F5N5O2/c1-16-23-8-20(13-37-29(23)40(39-16)15-18-4-6-22(42-3)7-5-18)24-12-26(31)19(9-27(24)32)10-28(41)38-21-11-25(30(33,34)35)17(2)36-14-21/h4-9,11-14H,10,15H2,1-3H3,(H,38,41)
• InChIKey: KJOIMNQWJCMHDW-UHFFFAOYSA-N
• XLogP: 6.65
• TPSA: 81.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.55
LogP ≤ 5	6.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide?

The IUPAC name of 2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide (CID 130423502) is 2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide.

What is the SMILES notation for 2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide?

The canonical SMILES for 2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide is COc1ccc(Cn2nc(C)c3cc(-c4cc(F)c(CC(=O)Nc5cnc(C)c(C(F)(F)F)c5)cc4F)cnc32)cc1.

What is the InChIKey of 2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide?

The InChIKey is KJOIMNQWJCMHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F5N5O2/c1-16-23-8-20(13-37-29(23)40(39-16)15-18-4-6-22(42-3)7-5-18)24-12-26(31)19(9-27(24)32)10-28(41)38-21-11-25(30(33,34)35)17(2)36-14-21/h4-9,11-14H,10,15H2,1-3H3,(H,38,41).

What are the key properties of 2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide?

2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 581.55 g/mol, XLogP of 6.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,5-difluoro-4-[1-[(4-methoxyphenyl)methyl]-3-methylpyrazolo[5,4-b]pyridin-5-yl]phenyl]-N-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 130423502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).