5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazole

C13H15F2N3O — CID 141364979

IUPAC5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazole
SMILESCN1CC(Cn2ncc3cc(OC(F)F)ccc32)C1
InChIInChI=1S/C13H15F2N3O/c1-17-6-9(7-17)8-18-12-3-2-11(19-13(14)15)4-10(12)5-16-18/h2-5,9,13H,6-8H2,1H3
InChIKeyDZDDHISRBXXQME-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.20
Rot. Bonds4

About 5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazole

5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazole (PubChem CID 141364979) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazole.

Molecular Properties

Compound Name5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazole
PubChem CID141364979
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazole
SMILESCN1CC(Cn2ncc3cc(OC(F)F)ccc32)C1
InChIInChI=1S/C13H15F2N3O/c1-17-6-9(7-17)8-18-12-3-2-11(19-13(14)15)4-10(12)5-16-18/h2-5,9,13H,6-8H2,1H3
InChIKeyDZDDHISRBXXQME-UHFFFAOYSA-N
XLogP2.20
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[5-(difluoromethoxy)indazol-1-yl]propyl]azetidin-3-ol
CID 141364922
5-(difluoromethoxy)-1-methylindazole
CID 141364933
1-(1-azabicyclo[2.2.2]octan-3-ylmethyl)-5-(trifluoromethoxy)indazole
CID 68536919
5-(difluoromethoxy)-1-[[5-(3-fluoro-5-methoxyphenyl)pyrazin-2-yl]methyl]indazole
CID 175809954
[1-(cyclobutylmethyl)indazol-5-yl]boronic acid
CID 134714812
[1-(cyclopropylmethyl)indazol-5-yl]methanol
CID 90133453
6-[[4-(difluoromethoxy)phenyl]methyl]-3-methyl-3,6-diazabicyclo[3.1.1]heptane
CID 134435302
5-bromo-1-(oxetan-3-ylmethyl)indazole
CID 166147252
2,7-bis(difluoromethoxy)naphthalene
CID 119024038
1-(cyclopropylmethyl)-4-fluoro-5-propan-2-ylindazole
CID 176644933
1-(2-methyl-2-azabicyclo[2.2.1]heptan-5-yl)-5-(trifluoromethoxy)indazole
CID 141138972
5-cyclopropyloxy-1-methylindazole
CID 130057460

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazole?
The IUPAC name of 5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazole (CID 141364979) is 5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazole.
What is the SMILES notation for 5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazole?
The canonical SMILES for 5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazole is CN1CC(Cn2ncc3cc(OC(F)F)ccc32)C1.
What is the InChIKey of 5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazole?
The InChIKey is DZDDHISRBXXQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-17-6-9(7-17)8-18-12-3-2-11(19-13(14)15)4-10(12)5-16-18/h2-5,9,13H,6-8H2,1H3.
What are the key properties of 5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazole?
5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazole has a molecular weight of 267.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1-[(1-methylazetidin-3-yl)methyl]indazole is sourced from PubChem (CID 141364979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).