N-[1-[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1H-indazol-3-yl]ethenyl]-2,3-dihydro-1H-inden-5-amine

C31H33FN4 — CID 144929242

About N-[1-[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1H-indazol-3-yl]ethenyl]-2,3-dihydro-1H-inden-5-amine

N-[1-[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1H-indazol-3-yl]ethenyl]-2,3-dihydro-1H-inden-5-amine (PubChem CID 144929242) has the molecular formula C31H33FN4 and a molecular weight of 480.63 g/mol. Its IUPAC name is N-[1-[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1H-indazol-3-yl]ethenyl]-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

• Compound Name: N-[1-[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1H-indazol-3-yl]ethenyl]-2,3-dihydro-1H-inden-5-amine
• PubChem CID: 144929242
• Molecular Formula: C31H33FN4
• Molecular Weight: 480.63 g/mol
• Exact Mass: 480.27
• IUPAC Name: N-[1-[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1H-indazol-3-yl]ethenyl]-2,3-dihydro-1H-inden-5-amine
• SMILES: C=C(Nc1ccc2c(c1)CCC2)c1n[nH]c2ccc(-c3cc(CN4CCCCC4)cc(F)c3C)cc12
• InChI: InChI=1S/C31H33FN4/c1-20-27(15-22(16-29(20)32)19-36-13-4-3-5-14-36)25-10-12-30-28(18-25)31(35-34-30)21(2)33-26-11-9-23-7-6-8-24(23)17-26/h9-12,15-18,33H,2-8,13-14,19H2,1H3,(H,34,35)
• InChIKey: CMSXVLSICZMOLC-UHFFFAOYSA-N
• XLogP: 7.23
• TPSA: 43.95 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	480.63
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1H-indazol-3-yl]ethenyl]-2,3-dihydro-1H-inden-5-amine?

The IUPAC name of N-[1-[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1H-indazol-3-yl]ethenyl]-2,3-dihydro-1H-inden-5-amine (CID 144929242) is N-[1-[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1H-indazol-3-yl]ethenyl]-2,3-dihydro-1H-inden-5-amine.

What is the SMILES notation for N-[1-[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1H-indazol-3-yl]ethenyl]-2,3-dihydro-1H-inden-5-amine?

The canonical SMILES for N-[1-[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1H-indazol-3-yl]ethenyl]-2,3-dihydro-1H-inden-5-amine is C=C(Nc1ccc2c(c1)CCC2)c1n[nH]c2ccc(-c3cc(CN4CCCCC4)cc(F)c3C)cc12.

What is the InChIKey of N-[1-[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1H-indazol-3-yl]ethenyl]-2,3-dihydro-1H-inden-5-amine?

The InChIKey is CMSXVLSICZMOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FN4/c1-20-27(15-22(16-29(20)32)19-36-13-4-3-5-14-36)25-10-12-30-28(18-25)31(35-34-30)21(2)33-26-11-9-23-7-6-8-24(23)17-26/h9-12,15-18,33H,2-8,13-14,19H2,1H3,(H,34,35).

What are the key properties of N-[1-[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1H-indazol-3-yl]ethenyl]-2,3-dihydro-1H-inden-5-amine?

N-[1-[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1H-indazol-3-yl]ethenyl]-2,3-dihydro-1H-inden-5-amine has a molecular weight of 480.63 g/mol, XLogP of 7.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-[3-fluoro-2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1H-indazol-3-yl]ethenyl]-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 144929242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).