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

C28H27F6N5O6S — CID 172605926

IUPAC[2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone
SMILESCOc1cc(-c2c3c(C(F)F)cc(-c4cnn(CCS(C)(=O)=O)c4)cc3nn2C)cc(OC(F)F)c1C(=O)N1CC(O)(C(F)F)C1
InChIInChI=1S/C28H27F6N5O6S/c1-37-23(15-8-19(44-2)22(20(9-15)45-27(33)34)25(40)38-12-28(41,13-38)26(31)32)21-17(24(29)30)6-14(7-18(21)36-37)16-10-35-39(11-16)4-5-46(3,42)43/h6-11,24,26-27,41H,4-5,12-13H2,1-3H3
InChIKeyBVJGLYXRSNNDGX-UHFFFAOYSA-N
MW675.61 g/mol
LogP4.15
Rot. Bonds11

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

[2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone (PubChem CID 172605926) has the molecular formula C28H27F6N5O6S and a molecular weight of 675.61 g/mol. Its IUPAC name is [2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone
PubChem CID172605926
Molecular FormulaC28H27F6N5O6S
Molecular Weight675.61 g/mol
Exact Mass675.16
IUPAC Name[2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone
SMILESCOc1cc(-c2c3c(C(F)F)cc(-c4cnn(CCS(C)(=O)=O)c4)cc3nn2C)cc(OC(F)F)c1C(=O)N1CC(O)(C(F)F)C1
InChIInChI=1S/C28H27F6N5O6S/c1-37-23(15-8-19(44-2)22(20(9-15)45-27(33)34)25(40)38-12-28(41,13-38)26(31)32)21-17(24(29)30)6-14(7-18(21)36-37)16-10-35-39(11-16)4-5-46(3,42)43/h6-11,24,26-27,41H,4-5,12-13H2,1-3H3
InChIKeyBVJGLYXRSNNDGX-UHFFFAOYSA-N
XLogP4.15
TPSA128.78 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500675.61
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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 12
CID 172605935
US20260062387, Example 58
CID 172605937
US20260062387, Example 33
CID 172605938
US20260062387, Example 63
CID 172605939
US20260062387, Example 41
CID 172605940
US20260062387, Example 114
CID 172605944
US20260062387, Example 84
CID 172605948

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone?
The IUPAC name of [2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone (CID 172605926) is [2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone.
What is the SMILES notation for [2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone?
The canonical SMILES for [2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone is COc1cc(-c2c3c(C(F)F)cc(-c4cnn(CCS(C)(=O)=O)c4)cc3nn2C)cc(OC(F)F)c1C(=O)N1CC(O)(C(F)F)C1.
What is the InChIKey of [2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone?
The InChIKey is BVJGLYXRSNNDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F6N5O6S/c1-37-23(15-8-19(44-2)22(20(9-15)45-27(33)34)25(40)38-12-28(41,13-38)26(31)32)21-17(24(29)30)6-14(7-18(21)36-37)16-10-35-39(11-16)4-5-46(3,42)43/h6-11,24,26-27,41H,4-5,12-13H2,1-3H3.
What are the key properties of [2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone?
[2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone has a molecular weight of 675.61 g/mol, XLogP of 4.15, 11 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethoxy)-4-[4-(difluoromethyl)-2-methyl-6-[1-(2-methylsulfonylethyl)pyrazol-4-yl]indazol-3-yl]-6-methoxyphenyl]-[3-(difluoromethyl)-3-hydroxyazetidin-1-yl]methanone is sourced from PubChem (CID 172605926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).