6-hydroxy-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]bicyclo[2.2.1]heptane-2-carboxamide

C29H27N3O3 — CID 134135011

About 6-hydroxy-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]bicyclo[2.2.1]heptane-2-carboxamide

6-hydroxy-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 134135011) has the molecular formula C29H27N3O3 and a molecular weight of 465.55 g/mol. Its IUPAC name is 6-hydroxy-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

• Compound Name: 6-hydroxy-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
• PubChem CID: 134135011
• Molecular Formula: C29H27N3O3
• Molecular Weight: 465.55 g/mol
• Exact Mass: 465.21
• IUPAC Name: 6-hydroxy-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
• SMILES: O=C(Nc1cccc(Oc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1)C1CC2CC(O)C1C2
• InChI: InChI=1S/C29H27N3O3/c33-28-15-19-13-24(28)25(14-19)29(34)30-20-7-4-8-21(16-20)35-22-10-11-23-26(31-32-27(23)17-22)12-9-18-5-2-1-3-6-18/h1-12,16-17,19,24-25,28,33H,13-15H2,(H,30,34)(H,31,32)/b12-9+
• InChIKey: LUNOUKVQVSEHLB-FMIVXFBMSA-N
• XLogP: 5.87
• TPSA: 87.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.55
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]bicyclo[2.2.1]heptane-2-carboxamide?

The IUPAC name of 6-hydroxy-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]bicyclo[2.2.1]heptane-2-carboxamide (CID 134135011) is 6-hydroxy-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]bicyclo[2.2.1]heptane-2-carboxamide.

What is the SMILES notation for 6-hydroxy-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]bicyclo[2.2.1]heptane-2-carboxamide?

The canonical SMILES for 6-hydroxy-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]bicyclo[2.2.1]heptane-2-carboxamide is O=C(Nc1cccc(Oc2ccc3c(/C=C/c4ccccc4)n[nH]c3c2)c1)C1CC2CC(O)C1C2.

What is the InChIKey of 6-hydroxy-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]bicyclo[2.2.1]heptane-2-carboxamide?

The InChIKey is LUNOUKVQVSEHLB-FMIVXFBMSA-N. The full InChI is InChI=1S/C29H27N3O3/c33-28-15-19-13-24(28)25(14-19)29(34)30-20-7-4-8-21(16-20)35-22-10-11-23-26(31-32-27(23)17-22)12-9-18-5-2-1-3-6-18/h1-12,16-17,19,24-25,28,33H,13-15H2,(H,30,34)(H,31,32)/b12-9+.

What are the key properties of 6-hydroxy-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]bicyclo[2.2.1]heptane-2-carboxamide?

6-hydroxy-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 465.55 g/mol, XLogP of 5.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-hydroxy-N-[3-[[3-[(E)-2-phenylethenyl]-1H-indazol-6-yl]oxy]phenyl]bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 134135011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).