N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[(2-methylindazol-6-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide

C27H20ClF3N8O — CID 163215255

About N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[(2-methylindazol-6-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[(2-methylindazol-6-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide (PubChem CID 163215255) has the molecular formula C27H20ClF3N8O and a molecular weight of 564.96 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[(2-methylindazol-6-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[(2-methylindazol-6-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide
• PubChem CID: 163215255
• Molecular Formula: C27H20ClF3N8O
• Molecular Weight: 564.96 g/mol
• Exact Mass: 564.14
• IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[(2-methylindazol-6-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide
• SMILES: Cn1cc2ccc(Nc3n[nH]c4cc(-c5cnn(CC(=O)Nc6ccc(Cl)c(C(F)(F)F)c6)c5)ccc34)cc2n1
• InChI: InChI=1S/C27H20ClF3N8O/c1-38-12-16-2-4-19(10-23(16)37-38)34-26-20-6-3-15(8-24(20)35-36-26)17-11-32-39(13-17)14-25(40)33-18-5-7-22(28)21(9-18)27(29,30)31/h2-13H,14H2,1H3,(H,33,40)(H2,34,35,36)
• InChIKey: JZNXTZBAIOKDOQ-UHFFFAOYSA-N
• XLogP: 6.37
• TPSA: 105.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.96
LogP ≤ 5	6.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[(2-methylindazol-6-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide?

The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[(2-methylindazol-6-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide (CID 163215255) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[(2-methylindazol-6-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide.

What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[(2-methylindazol-6-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide?

The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[(2-methylindazol-6-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide is Cn1cc2ccc(Nc3n[nH]c4cc(-c5cnn(CC(=O)Nc6ccc(Cl)c(C(F)(F)F)c6)c5)ccc34)cc2n1.

What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[(2-methylindazol-6-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide?

The InChIKey is JZNXTZBAIOKDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClF3N8O/c1-38-12-16-2-4-19(10-23(16)37-38)34-26-20-6-3-15(8-24(20)35-36-26)17-11-32-39(13-17)14-25(40)33-18-5-7-22(28)21(9-18)27(29,30)31/h2-13H,14H2,1H3,(H,33,40)(H2,34,35,36).

What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[(2-methylindazol-6-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide?

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[(2-methylindazol-6-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide has a molecular weight of 564.96 g/mol, XLogP of 6.37, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[(2-methylindazol-6-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 163215255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).