4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide

C25H22FN3O3 — CID 165385134

IUPAC4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide
SMILESCN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2COC2)c1
InChIInChI=1S/C25H22FN3O3/c1-29(13-19-6-2-5-18-12-27-28-24(18)19)25(30)17-8-9-22(16-4-3-7-20(26)10-16)23(11-17)32-21-14-31-15-21/h2-12,21H,13-15H2,1H3,(H,27,28)
InChIKeyFMNBHEAHDDFECK-UHFFFAOYSA-N
MW431.47 g/mol
LogP4.42
Rot. Bonds6

About 4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide

4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide (PubChem CID 165385134) has the molecular formula C25H22FN3O3 and a molecular weight of 431.47 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide
PubChem CID165385134
Molecular FormulaC25H22FN3O3
Molecular Weight431.47 g/mol
Exact Mass431.16
IUPAC Name4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide
SMILESCN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2COC2)c1
InChIInChI=1S/C25H22FN3O3/c1-29(13-19-6-2-5-18-12-27-28-24(18)19)25(30)17-8-9-22(16-4-3-7-20(26)10-16)23(11-17)32-21-14-31-15-21/h2-12,21H,13-15H2,1H3,(H,27,28)
InChIKeyFMNBHEAHDDFECK-UHFFFAOYSA-N
XLogP4.42
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide?
The IUPAC name of 4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide (CID 165385134) is 4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide.
What is the SMILES notation for 4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide?
The canonical SMILES for 4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide is CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2COC2)c1.
What is the InChIKey of 4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide?
The InChIKey is FMNBHEAHDDFECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O3/c1-29(13-19-6-2-5-18-12-27-28-24(18)19)25(30)17-8-9-22(16-4-3-7-20(26)10-16)23(11-17)32-21-14-31-15-21/h2-12,21H,13-15H2,1H3,(H,27,28).
What are the key properties of 4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide?
4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide has a molecular weight of 431.47 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(oxetan-3-yloxy)benzamide is sourced from PubChem (CID 165385134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).