2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]indazol-3-yl]phenyl]acetic acid

C32H26N4O3 — CID 118937106

About 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]indazol-3-yl]phenyl]acetic acid

2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]indazol-3-yl]phenyl]acetic acid (PubChem CID 118937106) has the molecular formula C32H26N4O3 and a molecular weight of 514.59 g/mol. Its IUPAC name is 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]indazol-3-yl]phenyl]acetic acid.

Molecular Properties

• Compound Name: 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]indazol-3-yl]phenyl]acetic acid
• PubChem CID: 118937106
• Molecular Formula: C32H26N4O3
• Molecular Weight: 514.59 g/mol
• Exact Mass: 514.20
• IUPAC Name: 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]indazol-3-yl]phenyl]acetic acid
• SMILES: Cc1noc(C)c1-c1ccc2c(-c3ccc(CC(=O)O)cc3)nn(C(c3ccccc3)c3ccccn3)c2c1
• InChI: InChI=1S/C32H26N4O3/c1-20-30(21(2)39-35-20)25-15-16-26-28(19-25)36(34-31(26)23-13-11-22(12-14-23)18-29(37)38)32(24-8-4-3-5-9-24)27-10-6-7-17-33-27/h3-17,19,32H,18H2,1-2H3,(H,37,38)
• InChIKey: MOGDJFBGGGFDTJ-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 94.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.59
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]indazol-3-yl]phenyl]acetic acid?

The IUPAC name of 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]indazol-3-yl]phenyl]acetic acid (CID 118937106) is 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]indazol-3-yl]phenyl]acetic acid.

What is the SMILES notation for 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]indazol-3-yl]phenyl]acetic acid?

The canonical SMILES for 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]indazol-3-yl]phenyl]acetic acid is Cc1noc(C)c1-c1ccc2c(-c3ccc(CC(=O)O)cc3)nn(C(c3ccccc3)c3ccccn3)c2c1.

What is the InChIKey of 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]indazol-3-yl]phenyl]acetic acid?

The InChIKey is MOGDJFBGGGFDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N4O3/c1-20-30(21(2)39-35-20)25-15-16-26-28(19-25)36(34-31(26)23-13-11-22(12-14-23)18-29(37)38)32(24-8-4-3-5-9-24)27-10-6-7-17-33-27/h3-17,19,32H,18H2,1-2H3,(H,37,38).

What are the key properties of 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]indazol-3-yl]phenyl]acetic acid?

2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]indazol-3-yl]phenyl]acetic acid has a molecular weight of 514.59 g/mol, XLogP of 6.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[phenyl(pyridin-2-yl)methyl]indazol-3-yl]phenyl]acetic acid is sourced from PubChem (CID 118937106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).