N-[2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C28H27F3N6O2 — CID 118182657

About N-[2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118182657) has the molecular formula C28H27F3N6O2 and a molecular weight of 536.56 g/mol. Its IUPAC name is N-[2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 118182657
• Molecular Formula: C28H27F3N6O2
• Molecular Weight: 536.56 g/mol
• Exact Mass: 536.21
• IUPAC Name: N-[2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: CC(c1ccccc1)N1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)ccc3n2)CC1
• InChI: InChI=1S/C28H27F3N6O2/c1-19(20-6-3-2-4-7-20)35-12-14-36(15-13-35)26(38)18-37-17-21-16-22(10-11-23(21)34-37)32-27(39)24-8-5-9-25(33-24)28(29,30)31/h2-11,16-17,19H,12-15,18H2,1H3,(H,32,39)
• InChIKey: UKWMIBPZLUTEAZ-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 83.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	536.56
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of N-[2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 118182657) is N-[2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The canonical SMILES for N-[2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC(c1ccccc1)N1CCN(C(=O)Cn2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)ccc3n2)CC1.

What is the InChIKey of N-[2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The InChIKey is UKWMIBPZLUTEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3N6O2/c1-19(20-6-3-2-4-7-20)35-12-14-36(15-13-35)26(38)18-37-17-21-16-22(10-11-23(21)34-37)32-27(39)24-8-5-9-25(33-24)28(29,30)31/h2-11,16-17,19H,12-15,18H2,1H3,(H,32,39).

What are the key properties of N-[2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

N-[2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 536.56 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-oxo-2-[4-(1-phenylethyl)piperazin-1-yl]ethyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118182657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).