2-cyclopropyl-7-(difluoromethoxy)-4-pyridin-4-ylindazole

C16H13F2N3O — CID 175435828

IUPAC2-cyclopropyl-7-(difluoromethoxy)-4-pyridin-4-ylindazole
SMILESFC(F)Oc1ccc(-c2ccncc2)c2cn(C3CC3)nc12
InChIInChI=1S/C16H13F2N3O/c17-16(18)22-14-4-3-12(10-5-7-19-8-6-10)13-9-21(11-1-2-11)20-15(13)14/h3-9,11,16H,1-2H2
InChIKeyMXBDNDDVRLOVIH-UHFFFAOYSA-N
MW301.30 g/mol
LogP4.03
Rot. Bonds4

About 2-cyclopropyl-7-(difluoromethoxy)-4-pyridin-4-ylindazole

2-cyclopropyl-7-(difluoromethoxy)-4-pyridin-4-ylindazole (PubChem CID 175435828) has the molecular formula C16H13F2N3O and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-cyclopropyl-7-(difluoromethoxy)-4-pyridin-4-ylindazole.

Molecular Properties

Compound Name2-cyclopropyl-7-(difluoromethoxy)-4-pyridin-4-ylindazole
PubChem CID175435828
Molecular FormulaC16H13F2N3O
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name2-cyclopropyl-7-(difluoromethoxy)-4-pyridin-4-ylindazole
SMILESFC(F)Oc1ccc(-c2ccncc2)c2cn(C3CC3)nc12
InChIInChI=1S/C16H13F2N3O/c17-16(18)22-14-4-3-12(10-5-7-19-8-6-10)13-9-21(11-1-2-11)20-15(13)14/h3-9,11,16H,1-2H2
InChIKeyMXBDNDDVRLOVIH-UHFFFAOYSA-N
XLogP4.03
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
1-(3,4-dimethylphenyl)-8-methoxy-3-phenyl-1H-pyrazolo[4,3-c]quinoline
CID 15990592
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
2-Cyclopropyl-7-(difluoromethoxy)-4-(3,4,5-trimethoxyphenyl)indazole
CID 172638504
4-[2-cyclopropyl-7-(difluoromethoxy)indazol-4-yl]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 175435808

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-(difluoromethoxy)-4-pyridin-4-ylindazole?
The IUPAC name of 2-cyclopropyl-7-(difluoromethoxy)-4-pyridin-4-ylindazole (CID 175435828) is 2-cyclopropyl-7-(difluoromethoxy)-4-pyridin-4-ylindazole.
What is the SMILES notation for 2-cyclopropyl-7-(difluoromethoxy)-4-pyridin-4-ylindazole?
The canonical SMILES for 2-cyclopropyl-7-(difluoromethoxy)-4-pyridin-4-ylindazole is FC(F)Oc1ccc(-c2ccncc2)c2cn(C3CC3)nc12.
What is the InChIKey of 2-cyclopropyl-7-(difluoromethoxy)-4-pyridin-4-ylindazole?
The InChIKey is MXBDNDDVRLOVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O/c17-16(18)22-14-4-3-12(10-5-7-19-8-6-10)13-9-21(11-1-2-11)20-15(13)14/h3-9,11,16H,1-2H2.
What are the key properties of 2-cyclopropyl-7-(difluoromethoxy)-4-pyridin-4-ylindazole?
2-cyclopropyl-7-(difluoromethoxy)-4-pyridin-4-ylindazole has a molecular weight of 301.30 g/mol, XLogP of 4.03, 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-pyridin-4-ylindazole is sourced from PubChem (CID 175435828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).