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

C23H18ClF3N8O — CID 163215269

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[(1-methylpyrazol-4-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide (PubChem CID 163215269) has the molecular formula C23H18ClF3N8O and a molecular weight of 514.90 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[(1-methylpyrazol-4-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[(1-methylpyrazol-4-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide
• PubChem CID: 163215269
• Molecular Formula: C23H18ClF3N8O
• Molecular Weight: 514.90 g/mol
• Exact Mass: 514.12
• IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[(1-methylpyrazol-4-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide
• SMILES: Cn1cc(Nc2n[nH]c3cc(-c4cnn(CC(=O)Nc5ccc(Cl)c(C(F)(F)F)c5)c4)ccc23)cn1
• InChI: InChI=1S/C23H18ClF3N8O/c1-34-11-16(9-28-34)31-22-17-4-2-13(6-20(17)32-33-22)14-8-29-35(10-14)12-21(36)30-15-3-5-19(24)18(7-15)23(25,26)27/h2-11H,12H2,1H3,(H,30,36)(H2,31,32,33)
• InChIKey: YDSMJOBMYIPJAN-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 105.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.90
LogP ≤ 5	5.21
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-[(1-methylpyrazol-4-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide?

The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[(1-methylpyrazol-4-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide (CID 163215269) is N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[(1-methylpyrazol-4-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-[(1-methylpyrazol-4-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide?

The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[(1-methylpyrazol-4-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide is Cn1cc(Nc2n[nH]c3cc(-c4cnn(CC(=O)Nc5ccc(Cl)c(C(F)(F)F)c5)c4)ccc23)cn1.

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

The InChIKey is YDSMJOBMYIPJAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClF3N8O/c1-34-11-16(9-28-34)31-22-17-4-2-13(6-20(17)32-33-22)14-8-29-35(10-14)12-21(36)30-15-3-5-19(24)18(7-15)23(25,26)27/h2-11H,12H2,1H3,(H,30,36)(H2,31,32,33).

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

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[(1-methylpyrazol-4-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide has a molecular weight of 514.90 g/mol, XLogP of 5.21, 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-[(1-methylpyrazol-4-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide is sourced from PubChem (CID 163215269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).