3-cyclobutyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide

C26H24FN3O2 — CID 165385394

IUPAC3-cyclobutyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
SMILESCN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2CCC2)c1
InChIInChI=1S/C26H24FN3O2/c1-30(16-20-7-2-6-19-15-28-29-25(19)20)26(31)18-11-12-23(17-5-3-8-21(27)13-17)24(14-18)32-22-9-4-10-22/h2-3,5-8,11-15,22H,4,9-10,16H2,1H3,(H,28,29)
InChIKeyKPIDCTWQCDGQBY-UHFFFAOYSA-N
MW429.50 g/mol
LogP5.57
Rot. Bonds6

About 3-cyclobutyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide

3-cyclobutyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide (PubChem CID 165385394) has the molecular formula C26H24FN3O2 and a molecular weight of 429.50 g/mol. Its IUPAC name is 3-cyclobutyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide.

Molecular Properties

Compound Name3-cyclobutyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
PubChem CID165385394
Molecular FormulaC26H24FN3O2
Molecular Weight429.50 g/mol
Exact Mass429.19
IUPAC Name3-cyclobutyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
SMILESCN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2CCC2)c1
InChIInChI=1S/C26H24FN3O2/c1-30(16-20-7-2-6-19-15-28-29-25(19)20)26(31)18-11-12-23(17-5-3-8-21(27)13-17)24(14-18)32-22-9-4-10-22/h2-3,5-8,11-15,22H,4,9-10,16H2,1H3,(H,28,29)
InChIKeyKPIDCTWQCDGQBY-UHFFFAOYSA-N
XLogP5.57
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.50
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-cyano-1H-indazol-7-yl)methyl]-3-cyclopropyloxy-4-(3-fluorophenyl)-N-methylbenzamide
CID 165385244
3-cyclopropyloxy-N-[(4-fluoro-5-hydroxy-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide
CID 165385094
N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methyl-3-(oxetan-3-yloxy)benzamide
CID 165385194
3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-pyridazin-4-ylbenzamide
CID 165385189
3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-b]pyridin-7-ylmethyl)benzamide
CID 165385435
3-ethoxy-4-(3-fluorophenyl)-N-[(6-hydroxy-1H-indazol-7-yl)methyl]-N-methylbenzamide
CID 171106955
3-ethoxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-[3-(methylamino)cyclobutyl]benzamide
CID 177350304
4-(3-chlorophenyl)-3-cyclopropyloxy-N-methyl-N-[(6-methyl-1H-pyrazolo[4,3-c]pyridin-7-yl)methyl]benzamide
CID 171106899
3-cyclopropyloxy-4-(3-fluoro-5-methylphenyl)-N-[(5-hydroxy-4-methyl-1H-pyrazolo[4,5-c]pyridin-5-ium-7-yl)methyl]-N-methylbenzamide
CID 169119594
3-cyclopropyloxy-4-(3-fluorophenyl)-N-[[7-(hydroxymethyl)-3H-isoindol-4-yl]methyl]-N-methylbenzamide
CID 174089150
2-fluoro-5-[4-[1H-indazol-7-ylmethyl(methyl)carbamoyl]-2-propoxyphenyl]-N-methylbenzamide
CID 165385378
3-ethoxy-4-(4-ethynylphenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide
CID 165385424

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide?
The IUPAC name of 3-cyclobutyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide (CID 165385394) is 3-cyclobutyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide.
What is the SMILES notation for 3-cyclobutyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide?
The canonical SMILES for 3-cyclobutyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide is CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cccc(F)c2)c(OC2CCC2)c1.
What is the InChIKey of 3-cyclobutyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide?
The InChIKey is KPIDCTWQCDGQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2/c1-30(16-20-7-2-6-19-15-28-29-25(19)20)26(31)18-11-12-23(17-5-3-8-21(27)13-17)24(14-18)32-22-9-4-10-22/h2-3,5-8,11-15,22H,4,9-10,16H2,1H3,(H,28,29).
What are the key properties of 3-cyclobutyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide?
3-cyclobutyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide has a molecular weight of 429.50 g/mol, XLogP of 5.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyloxy-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide is sourced from PubChem (CID 165385394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).