N-[[4-methyl-5-[3-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine

C27H25F3N6 — CID 135992142

About N-[[4-methyl-5-[3-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine

N-[[4-methyl-5-[3-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine (PubChem CID 135992142) has the molecular formula C27H25F3N6 and a molecular weight of 490.53 g/mol. Its IUPAC name is N-[[4-methyl-5-[3-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine.

Molecular Properties

• Compound Name: N-[[4-methyl-5-[3-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
• PubChem CID: 135992142
• Molecular Formula: C27H25F3N6
• Molecular Weight: 490.53 g/mol
• Exact Mass: 490.21
• IUPAC Name: N-[[4-methyl-5-[3-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine
• SMILES: CCNCc1cncc(-c2ccc3[nH]nc(-c4nc(-c5cccc(C(F)(F)F)c5)c(C)[nH]4)c3c2)c1C
• InChI: InChI=1S/C27H25F3N6/c1-4-31-12-19-13-32-14-22(15(19)2)17-8-9-23-21(11-17)25(36-35-23)26-33-16(3)24(34-26)18-6-5-7-20(10-18)27(28,29)30/h5-11,13-14,31H,4,12H2,1-3H3,(H,33,34)(H,35,36)
• InChIKey: ZMAFWSBFWCZNPI-UHFFFAOYSA-N
• XLogP: 6.43
• TPSA: 82.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.53
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-5-[3-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?

The IUPAC name of N-[[4-methyl-5-[3-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine (CID 135992142) is N-[[4-methyl-5-[3-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine.

What is the SMILES notation for N-[[4-methyl-5-[3-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?

The canonical SMILES for N-[[4-methyl-5-[3-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine is CCNCc1cncc(-c2ccc3[nH]nc(-c4nc(-c5cccc(C(F)(F)F)c5)c(C)[nH]4)c3c2)c1C.

What is the InChIKey of N-[[4-methyl-5-[3-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?

The InChIKey is ZMAFWSBFWCZNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N6/c1-4-31-12-19-13-32-14-22(15(19)2)17-8-9-23-21(11-17)25(36-35-23)26-33-16(3)24(34-26)18-6-5-7-20(10-18)27(28,29)30/h5-11,13-14,31H,4,12H2,1-3H3,(H,33,34)(H,35,36).

What are the key properties of N-[[4-methyl-5-[3-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine?

N-[[4-methyl-5-[3-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine has a molecular weight of 490.53 g/mol, XLogP of 6.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-methyl-5-[3-[5-methyl-4-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 135992142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).