2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylacetamide

C23H18ClF2N7O2 — CID 165125580

About 2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylacetamide

2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylacetamide (PubChem CID 165125580) has the molecular formula C23H18ClF2N7O2 and a molecular weight of 497.89 g/mol. Its IUPAC name is 2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

• Compound Name: 2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylacetamide
• PubChem CID: 165125580
• Molecular Formula: C23H18ClF2N7O2
• Molecular Weight: 497.89 g/mol
• Exact Mass: 497.12
• IUPAC Name: 2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylacetamide
• SMILES: CN(C)C(=O)Cn1nc(-c2cc(Cl)ccc2OC(F)F)c2cc(-c3cnn4cccnc34)cnc21
• InChI: InChI=1S/C23H18ClF2N7O2/c1-31(2)19(34)12-33-21-16(20(30-33)15-9-14(24)4-5-18(15)35-23(25)26)8-13(10-28-21)17-11-29-32-7-3-6-27-22(17)32/h3-11,23H,12H2,1-2H3
• InChIKey: ZAKYCFBRJWVPDE-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 90.44 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.89
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylacetamide?

The IUPAC name of 2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylacetamide (CID 165125580) is 2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylacetamide.

What is the SMILES notation for 2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylacetamide?

The canonical SMILES for 2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)Cn1nc(-c2cc(Cl)ccc2OC(F)F)c2cc(-c3cnn4cccnc34)cnc21.

What is the InChIKey of 2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylacetamide?

The InChIKey is ZAKYCFBRJWVPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF2N7O2/c1-31(2)19(34)12-33-21-16(20(30-33)15-9-14(24)4-5-18(15)35-23(25)26)8-13(10-28-21)17-11-29-32-7-3-6-27-22(17)32/h3-11,23H,12H2,1-2H3.

What are the key properties of 2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylacetamide?

2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylacetamide has a molecular weight of 497.89 g/mol, XLogP of 4.15, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-chloro-2-(difluoromethoxy)phenyl]-5-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[5,4-b]pyridin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 165125580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).