2-cyclopropyl-7-(difluoromethoxy)-4-(3,4,5-trimethoxyphenyl)indazole

C20H20F2N2O4 — CID 172638504

IUPAC2-cyclopropyl-7-(difluoromethoxy)-4-(3,4,5-trimethoxyphenyl)indazole
SMILESCOc1cc(-c2ccc(OC(F)F)c3nn(C4CC4)cc23)cc(OC)c1OC
InChIInChI=1S/C20H20F2N2O4/c1-25-16-8-11(9-17(26-2)19(16)27-3)13-6-7-15(28-20(21)22)18-14(13)10-24(23-18)12-4-5-12/h6-10,12,20H,4-5H2,1-3H3
InChIKeyWPXVEZVGSSYCAR-UHFFFAOYSA-N
MW390.39 g/mol
LogP4.67
Rot. Bonds7

About 2-cyclopropyl-7-(difluoromethoxy)-4-(3,4,5-trimethoxyphenyl)indazole

2-cyclopropyl-7-(difluoromethoxy)-4-(3,4,5-trimethoxyphenyl)indazole (PubChem CID 172638504) has the molecular formula C20H20F2N2O4 and a molecular weight of 390.39 g/mol. Its IUPAC name is 2-cyclopropyl-7-(difluoromethoxy)-4-(3,4,5-trimethoxyphenyl)indazole.

Molecular Properties

Compound Name2-cyclopropyl-7-(difluoromethoxy)-4-(3,4,5-trimethoxyphenyl)indazole
PubChem CID172638504
Molecular FormulaC20H20F2N2O4
Molecular Weight390.39 g/mol
Exact Mass390.14
IUPAC Name2-cyclopropyl-7-(difluoromethoxy)-4-(3,4,5-trimethoxyphenyl)indazole
SMILESCOc1cc(-c2ccc(OC(F)F)c3nn(C4CC4)cc23)cc(OC)c1OC
InChIInChI=1S/C20H20F2N2O4/c1-25-16-8-11(9-17(26-2)19(16)27-3)13-6-7-15(28-20(21)22)18-14(13)10-24(23-18)12-4-5-12/h6-10,12,20H,4-5H2,1-3H3
InChIKeyWPXVEZVGSSYCAR-UHFFFAOYSA-N
XLogP4.67
TPSA54.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-Fluoro-4-methoxyphenyl)-1-methyl-3-(3,4,5-trimethoxyphenyl)pyrazole
CID 145985149
2-Cyclopropyl-7-(difluoromethoxy)-4-(2-methoxy-4-pyridinyl)indazole
CID 175435811
2-Cyclopropyl-7-(difluoromethoxy)-4-(2-fluoro-4-pyridinyl)indazole
CID 175435814
3-(2-Cyclopropyl-7-methoxyindazol-4-yl)benzonitrile
CID 175435819
1-[3-[2-Cyclopropyl-7-(difluoromethoxy)indazol-4-yl]phenyl]ethanone
CID 175435820
3-Benzyl-5-(2-cyclopropyl-7-methoxyindazol-4-yl)benzonitrile
CID 175435821
2-Cyclopropyl-7-methoxy-4-(3,4,5-trimethoxyphenyl)indazole
CID 175435826
2-Cyclopropyl-7-(difluoromethoxy)-4-pyridin-4-ylindazole
CID 175435828
2-Cyclopropyl-7-(difluoromethoxy)-4-(3-fluoro-4-pyridinyl)indazole
CID 175435831
2-Cyclopropyl-4-(3,4-dimethoxyphenyl)-7-methoxyindazole
CID 175435832
7-methoxy-1-methyl-5-[(Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]indazole
CID 44411996
7-methoxy-1-methyl-5-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enyl]indazole
CID 44411998

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-7-(difluoromethoxy)-4-(3,4,5-trimethoxyphenyl)indazole?
The IUPAC name of 2-cyclopropyl-7-(difluoromethoxy)-4-(3,4,5-trimethoxyphenyl)indazole (CID 172638504) is 2-cyclopropyl-7-(difluoromethoxy)-4-(3,4,5-trimethoxyphenyl)indazole.
What is the SMILES notation for 2-cyclopropyl-7-(difluoromethoxy)-4-(3,4,5-trimethoxyphenyl)indazole?
The canonical SMILES for 2-cyclopropyl-7-(difluoromethoxy)-4-(3,4,5-trimethoxyphenyl)indazole is COc1cc(-c2ccc(OC(F)F)c3nn(C4CC4)cc23)cc(OC)c1OC.
What is the InChIKey of 2-cyclopropyl-7-(difluoromethoxy)-4-(3,4,5-trimethoxyphenyl)indazole?
The InChIKey is WPXVEZVGSSYCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O4/c1-25-16-8-11(9-17(26-2)19(16)27-3)13-6-7-15(28-20(21)22)18-14(13)10-24(23-18)12-4-5-12/h6-10,12,20H,4-5H2,1-3H3.
What are the key properties of 2-cyclopropyl-7-(difluoromethoxy)-4-(3,4,5-trimethoxyphenyl)indazole?
2-cyclopropyl-7-(difluoromethoxy)-4-(3,4,5-trimethoxyphenyl)indazole has a molecular weight of 390.39 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-7-(difluoromethoxy)-4-(3,4,5-trimethoxyphenyl)indazole is sourced from PubChem (CID 172638504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).