3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(triazol-2-yl)propanamide

C26H23FN6O — CID 73346225

IUPAC3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(triazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nn1nccn1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C26H23FN6O/c1-26(2,25(34)31-33-28-14-15-29-33)24(18-6-4-3-5-7-18)19-8-13-23-20(16-19)17-30-32(23)22-11-9-21(27)10-12-22/h3-17,24H,1-2H3,(H,31,34)
InChIKeyPREVNECIRYAHQM-UHFFFAOYSA-N
MW454.51 g/mol
LogP4.68
Rot. Bonds6

About 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(triazol-2-yl)propanamide

3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(triazol-2-yl)propanamide (PubChem CID 73346225) has the molecular formula C26H23FN6O and a molecular weight of 454.51 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(triazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(triazol-2-yl)propanamide
PubChem CID73346225
Molecular FormulaC26H23FN6O
Molecular Weight454.51 g/mol
Exact Mass454.19
IUPAC Name3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(triazol-2-yl)propanamide
SMILESCC(C)(C(=O)Nn1nccn1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C26H23FN6O/c1-26(2,25(34)31-33-28-14-15-29-33)24(18-6-4-3-5-7-18)19-8-13-23-20(16-19)17-30-32(23)22-11-9-21(27)10-12-22/h3-17,24H,1-2H3,(H,31,34)
InChIKeyPREVNECIRYAHQM-UHFFFAOYSA-N
XLogP4.68
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.51
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(triazol-2-yl)propanamide?
The IUPAC name of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(triazol-2-yl)propanamide (CID 73346225) is 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(triazol-2-yl)propanamide.
What is the SMILES notation for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(triazol-2-yl)propanamide?
The canonical SMILES for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(triazol-2-yl)propanamide is CC(C)(C(=O)Nn1nccn1)C(c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(triazol-2-yl)propanamide?
The InChIKey is PREVNECIRYAHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O/c1-26(2,25(34)31-33-28-14-15-29-33)24(18-6-4-3-5-7-18)19-8-13-23-20(16-19)17-30-32(23)22-11-9-21(27)10-12-22/h3-17,24H,1-2H3,(H,31,34).
What are the key properties of 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(triazol-2-yl)propanamide?
3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(triazol-2-yl)propanamide has a molecular weight of 454.51 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenyl-N-(triazol-2-yl)propanamide is sourced from PubChem (CID 73346225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).