2-cyclopropyl-7-(difluoromethoxy)-4-(2-fluoro-4-pyridinyl)indazole

C16H12F3N3O — CID 175435814

IUPAC2-cyclopropyl-7-(difluoromethoxy)-4-(2-fluoro-4-pyridinyl)indazole
SMILESFc1cc(-c2ccc(OC(F)F)c3nn(C4CC4)cc23)ccn1
InChIInChI=1S/C16H12F3N3O/c17-14-7-9(5-6-20-14)11-3-4-13(23-16(18)19)15-12(11)8-22(21-15)10-1-2-10/h3-8,10,16H,1-2H2
InChIKeyYFAALTPHJDZTHJ-UHFFFAOYSA-N
MW319.29 g/mol
LogP4.17
Rot. Bonds4

About 2-cyclopropyl-7-(difluoromethoxy)-4-(2-fluoro-4-pyridinyl)indazole

2-cyclopropyl-7-(difluoromethoxy)-4-(2-fluoro-4-pyridinyl)indazole (PubChem CID 175435814) has the molecular formula C16H12F3N3O and a molecular weight of 319.29 g/mol. Its IUPAC name is 2-cyclopropyl-7-(difluoromethoxy)-4-(2-fluoro-4-pyridinyl)indazole.

Molecular Properties

Compound Name2-cyclopropyl-7-(difluoromethoxy)-4-(2-fluoro-4-pyridinyl)indazole
PubChem CID175435814
Molecular FormulaC16H12F3N3O
Molecular Weight319.29 g/mol
Exact Mass319.09
IUPAC Name2-cyclopropyl-7-(difluoromethoxy)-4-(2-fluoro-4-pyridinyl)indazole
SMILESFc1cc(-c2ccc(OC(F)F)c3nn(C4CC4)cc23)ccn1
InChIInChI=1S/C16H12F3N3O/c17-14-7-9(5-6-20-14)11-3-4-13(23-16(18)19)15-12(11)8-22(21-15)10-1-2-10/h3-8,10,16H,1-2H2
InChIKeyYFAALTPHJDZTHJ-UHFFFAOYSA-N
XLogP4.17
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[2-Fluoro-5-(trifluoromethyl)phenyl]-7-methoxy-1-(pyrazin-2-ylmethyl)indazole
CID 134611931
4-(3-methoxypyridin-4-yl)-6-(trifluoromethyl)-1H-indazole
CID 89783137
5-[4-(Trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine
CID 127044563
5-[4-(Trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 127044564
3-Ethyl-1-(4-fluoro-2-methyl-phenyl)-6-methoxy-1H-pyrrolo[3,2-c]quinoline
CID 9905717
6-pyridin-4-yl-3-[(E)-2-[3-(trifluoromethoxy)phenyl]ethenyl]-1H-indazole
CID 22978206
6,8-difluoro-1-(2-methoxyphenyl)-3-phenyl-1H-pyrazolo[4,3-c]quinoline
CID 15990618
1-(2-methoxyphenyl)-3-phenyl-7-(trifluoromethyl)-1H-pyrazolo[4,3-c]quinoline
CID 15990620
3-Methyl-1-o-tolyl-6-trifluoromethoxy-1H-pyrrolo[3,2-c]quinoline
CID 9798780
1-(4-Fluoro-2-methyl-phenyl)-6-methoxy-3,4-dimethyl-1H-pyrrolo[3,2-c]quinoline
CID 9840636
1-(4-Fluoro-2-methyl-phenyl)-6-methoxy-3-methyl-1H-pyrrolo[3,2-c]quinoline
CID 9861877
2-Cyclopropyl-7-(difluoromethoxy)-4-(3,4,5-trimethoxyphenyl)indazole
CID 172638504

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-(difluoromethoxy)-4-(2-fluoro-4-pyridinyl)indazole?
The IUPAC name of 2-cyclopropyl-7-(difluoromethoxy)-4-(2-fluoro-4-pyridinyl)indazole (CID 175435814) is 2-cyclopropyl-7-(difluoromethoxy)-4-(2-fluoro-4-pyridinyl)indazole.
What is the SMILES notation for 2-cyclopropyl-7-(difluoromethoxy)-4-(2-fluoro-4-pyridinyl)indazole?
The canonical SMILES for 2-cyclopropyl-7-(difluoromethoxy)-4-(2-fluoro-4-pyridinyl)indazole is Fc1cc(-c2ccc(OC(F)F)c3nn(C4CC4)cc23)ccn1.
What is the InChIKey of 2-cyclopropyl-7-(difluoromethoxy)-4-(2-fluoro-4-pyridinyl)indazole?
The InChIKey is YFAALTPHJDZTHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O/c17-14-7-9(5-6-20-14)11-3-4-13(23-16(18)19)15-12(11)8-22(21-15)10-1-2-10/h3-8,10,16H,1-2H2.
What are the key properties of 2-cyclopropyl-7-(difluoromethoxy)-4-(2-fluoro-4-pyridinyl)indazole?
2-cyclopropyl-7-(difluoromethoxy)-4-(2-fluoro-4-pyridinyl)indazole has a molecular weight of 319.29 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-(difluoromethoxy)-4-(2-fluoro-4-pyridinyl)indazole is sourced from PubChem (CID 175435814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).