N-(azetidin-3-yl)-4-[3-(1,3-dimethylindazol-6-yl)oxyphenyl]-2-methylbenzamide

C26H26N4O2 — CID 171537623

IUPACN-(azetidin-3-yl)-4-[3-(1,3-dimethylindazol-6-yl)oxyphenyl]-2-methylbenzamide
SMILESCc1cc(-c2cccc(Oc3ccc4c(C)nn(C)c4c3)c2)ccc1C(=O)NC1CNC1
InChIInChI=1S/C26H26N4O2/c1-16-11-19(7-9-23(16)26(31)28-20-14-27-15-20)18-5-4-6-21(12-18)32-22-8-10-24-17(2)29-30(3)25(24)13-22/h4-13,20,27H,14-15H2,1-3H3,(H,28,31)
InChIKeyFIZSNSCKTZAYSF-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.35
Rot. Bonds5

About N-(azetidin-3-yl)-4-[3-(1,3-dimethylindazol-6-yl)oxyphenyl]-2-methylbenzamide

N-(azetidin-3-yl)-4-[3-(1,3-dimethylindazol-6-yl)oxyphenyl]-2-methylbenzamide (PubChem CID 171537623) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-(azetidin-3-yl)-4-[3-(1,3-dimethylindazol-6-yl)oxyphenyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-4-[3-(1,3-dimethylindazol-6-yl)oxyphenyl]-2-methylbenzamide
PubChem CID171537623
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-(azetidin-3-yl)-4-[3-(1,3-dimethylindazol-6-yl)oxyphenyl]-2-methylbenzamide
SMILESCc1cc(-c2cccc(Oc3ccc4c(C)nn(C)c4c3)c2)ccc1C(=O)NC1CNC1
InChIInChI=1S/C26H26N4O2/c1-16-11-19(7-9-23(16)26(31)28-20-14-27-15-20)18-5-4-6-21(12-18)32-22-8-10-24-17(2)29-30(3)25(24)13-22/h4-13,20,27H,14-15H2,1-3H3,(H,28,31)
InChIKeyFIZSNSCKTZAYSF-UHFFFAOYSA-N
XLogP4.35
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(1,3-dimethylindazol-6-yl)oxyphenyl]-N-(1-ethenylidenepiperidin-1-ium-4-yl)-2-methylbenzamide
CID 171537599
N-[(1S,4S,5S)-2-azabicyclo[2.2.1]heptan-5-yl]-4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-methylbenzamide
CID 171537576
N-(azetidin-3-yl)-4-[3-[4-ethanimidoyl-3-(methylamino)phenoxy]phenyl]-2-methylbenzamide
CID 171537575
4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-methyl-N-[(1S,5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-yl]benzamide;ethane;molecular hydrogen
CID 171537751
1-[4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-methylphenyl]ethanone
CID 171537760
1-[2-(methylamino)-4-[3-[3-methyl-4-[(1-methylpiperidin-4-yl)carbamoyl]phenyl]phenoxy]phenyl]ethylideneazanium
CID 171537401
N-(2-azaspiro[3.3]heptan-6-yl)-4-[3-[4-ethanimidoyl-3-(methylamino)phenoxy]phenyl]-2-methylbenzamide
CID 171537403
N-[3-(dimethylamino)cyclobutyl]-4-[4-(1,3-dimethylindazol-6-yl)oxy-2-pyridinyl]-2-ethyl-6-fluorobenzamide
CID 171537653
N-(azetidin-3-yl)-2-fluoro-3-methylbenzamide
CID 81477193
4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylazetidin-3-yl)benzamide
CID 171537632
4-[4-(1,3-dimethylpyrazolo[4,5-b]pyridin-6-yl)oxy-2-pyridinyl]-2-ethyl-N-(1-methylpiperidin-4-yl)benzamide
CID 171537621
N-(azetidin-3-yl)-1,5-dimethylpyrazole-4-carboxamide
CID 66187230

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-4-[3-(1,3-dimethylindazol-6-yl)oxyphenyl]-2-methylbenzamide?
The IUPAC name of N-(azetidin-3-yl)-4-[3-(1,3-dimethylindazol-6-yl)oxyphenyl]-2-methylbenzamide (CID 171537623) is N-(azetidin-3-yl)-4-[3-(1,3-dimethylindazol-6-yl)oxyphenyl]-2-methylbenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-4-[3-(1,3-dimethylindazol-6-yl)oxyphenyl]-2-methylbenzamide?
The canonical SMILES for N-(azetidin-3-yl)-4-[3-(1,3-dimethylindazol-6-yl)oxyphenyl]-2-methylbenzamide is Cc1cc(-c2cccc(Oc3ccc4c(C)nn(C)c4c3)c2)ccc1C(=O)NC1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-4-[3-(1,3-dimethylindazol-6-yl)oxyphenyl]-2-methylbenzamide?
The InChIKey is FIZSNSCKTZAYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-16-11-19(7-9-23(16)26(31)28-20-14-27-15-20)18-5-4-6-21(12-18)32-22-8-10-24-17(2)29-30(3)25(24)13-22/h4-13,20,27H,14-15H2,1-3H3,(H,28,31).
What are the key properties of N-(azetidin-3-yl)-4-[3-(1,3-dimethylindazol-6-yl)oxyphenyl]-2-methylbenzamide?
N-(azetidin-3-yl)-4-[3-(1,3-dimethylindazol-6-yl)oxyphenyl]-2-methylbenzamide has a molecular weight of 426.52 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-4-[3-(1,3-dimethylindazol-6-yl)oxyphenyl]-2-methylbenzamide is sourced from PubChem (CID 171537623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).