[2-(difluoromethoxy)-4-[4-(difluoromethoxy)-2-methyl-6-(1-methyltriazol-4-yl)indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone

C25H22F6N6O5 — CID 172605939

IUPAC[2-(difluoromethoxy)-4-[4-(difluoromethoxy)-2-methyl-6-(1-methyltriazol-4-yl)indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone
SMILESCOc1cc(-c2c3c(OC(F)F)cc(-c4cn(C)nn4)cc3nn2C)cc(OC(F)F)c1C(=O)N1CC(O)(C(F)F)C1
InChIInChI=1S/C25H22F6N6O5/c1-35-8-14(32-34-35)11-4-13-18(16(5-11)41-23(28)29)20(36(2)33-13)12-6-15(40-3)19(17(7-12)42-24(30)31)21(38)37-9-25(39,10-37)22(26)27/h4-8,22-24,39H,9-10H2,1-3H3
InChIKeyORQWEHVJXZFLAY-UHFFFAOYSA-N
MW600.48 g/mol
LogP3.70
Rot. Bonds9

About [2-(difluoromethoxy)-4-[4-(difluoromethoxy)-2-methyl-6-(1-methyltriazol-4-yl)indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone

[2-(difluoromethoxy)-4-[4-(difluoromethoxy)-2-methyl-6-(1-methyltriazol-4-yl)indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone (PubChem CID 172605939) has the molecular formula C25H22F6N6O5 and a molecular weight of 600.48 g/mol. Its IUPAC name is [2-(difluoromethoxy)-4-[4-(difluoromethoxy)-2-methyl-6-(1-methyltriazol-4-yl)indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(difluoromethoxy)-4-[4-(difluoromethoxy)-2-methyl-6-(1-methyltriazol-4-yl)indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone
PubChem CID172605939
Molecular FormulaC25H22F6N6O5
Molecular Weight600.48 g/mol
Exact Mass600.16
IUPAC Name[2-(difluoromethoxy)-4-[4-(difluoromethoxy)-2-methyl-6-(1-methyltriazol-4-yl)indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone
SMILESCOc1cc(-c2c3c(OC(F)F)cc(-c4cn(C)nn4)cc3nn2C)cc(OC(F)F)c1C(=O)N1CC(O)(C(F)F)C1
InChIInChI=1S/C25H22F6N6O5/c1-35-8-14(32-34-35)11-4-13-18(16(5-11)41-23(28)29)20(36(2)33-13)12-6-15(40-3)19(17(7-12)42-24(30)31)21(38)37-9-25(39,10-37)22(26)27/h4-8,22-24,39H,9-10H2,1-3H3
InChIKeyORQWEHVJXZFLAY-UHFFFAOYSA-N
XLogP3.70
TPSA116.76 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.48
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [2-(difluoromethoxy)-4-[4-(difluoromethoxy)-2-methyl-6-(1-methyltriazol-4-yl)indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone with MolForge

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Related Compounds

US20260062387, Example 66
CID 172605926
US20260062387, Example 111
CID 172605928
US20260062387, Example 113
CID 172605929
US20260062387, Example 73
CID 172605932
US20260062387, Example 117
CID 172605933
US20260062387, Example 119
CID 172605934
US20260062387, Example 58
CID 172605937
US20260062387, Example 41
CID 172605940
US20260062387, Example 114
CID 172605944
US20260062387, Example 4
CID 172605947
US20260062387, Example 84
CID 172605948
US20260062387, Example 103
CID 172605950

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)-4-[4-(difluoromethoxy)-2-methyl-6-(1-methyltriazol-4-yl)indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone?
The IUPAC name of [2-(difluoromethoxy)-4-[4-(difluoromethoxy)-2-methyl-6-(1-methyltriazol-4-yl)indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone (CID 172605939) is [2-(difluoromethoxy)-4-[4-(difluoromethoxy)-2-methyl-6-(1-methyltriazol-4-yl)indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone.
What is the SMILES notation for [2-(difluoromethoxy)-4-[4-(difluoromethoxy)-2-methyl-6-(1-methyltriazol-4-yl)indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone?
The canonical SMILES for [2-(difluoromethoxy)-4-[4-(difluoromethoxy)-2-methyl-6-(1-methyltriazol-4-yl)indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone is COc1cc(-c2c3c(OC(F)F)cc(-c4cn(C)nn4)cc3nn2C)cc(OC(F)F)c1C(=O)N1CC(O)(C(F)F)C1.
What is the InChIKey of [2-(difluoromethoxy)-4-[4-(difluoromethoxy)-2-methyl-6-(1-methyltriazol-4-yl)indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone?
The InChIKey is ORQWEHVJXZFLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F6N6O5/c1-35-8-14(32-34-35)11-4-13-18(16(5-11)41-23(28)29)20(36(2)33-13)12-6-15(40-3)19(17(7-12)42-24(30)31)21(38)37-9-25(39,10-37)22(26)27/h4-8,22-24,39H,9-10H2,1-3H3.
What are the key properties of [2-(difluoromethoxy)-4-[4-(difluoromethoxy)-2-methyl-6-(1-methyltriazol-4-yl)indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone?
[2-(difluoromethoxy)-4-[4-(difluoromethoxy)-2-methyl-6-(1-methyltriazol-4-yl)indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone has a molecular weight of 600.48 g/mol, XLogP of 3.70, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)-4-[4-(difluoromethoxy)-2-methyl-6-(1-methyltriazol-4-yl)indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone is sourced from PubChem (CID 172605939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).