4-(3-fluoro-5-methyl-4-propan-2-ylphenyl)-7-methoxy-2-(trideuteriomethyl)indazole

C19H21FN2O — CID 171760643

IUPAC4-(3-fluoro-5-methyl-4-propan-2-ylphenyl)-7-methoxy-2-(trideuteriomethyl)indazole
SMILES[2H]C([2H])([2H])n1cc2c(-c3cc(C)c(C(C)C)c(F)c3)ccc(OC)c2n1
InChIInChI=1S/C19H21FN2O/c1-11(2)18-12(3)8-13(9-16(18)20)14-6-7-17(23-5)19-15(14)10-22(4)21-19/h6-11H,1-5H3/i4D3
InChIKeyYJLKNIVQHVXZMD-GKOSEXJESA-N
MW315.41 g/mol
LogP4.82
Rot. Bonds4

About 4-(3-fluoro-5-methyl-4-propan-2-ylphenyl)-7-methoxy-2-(trideuteriomethyl)indazole

4-(3-fluoro-5-methyl-4-propan-2-ylphenyl)-7-methoxy-2-(trideuteriomethyl)indazole (PubChem CID 171760643) has the molecular formula C19H21FN2O and a molecular weight of 315.41 g/mol. Its IUPAC name is 4-(3-fluoro-5-methyl-4-propan-2-ylphenyl)-7-methoxy-2-(trideuteriomethyl)indazole.

Molecular Properties

Compound Name4-(3-fluoro-5-methyl-4-propan-2-ylphenyl)-7-methoxy-2-(trideuteriomethyl)indazole
PubChem CID171760643
Molecular FormulaC19H21FN2O
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name4-(3-fluoro-5-methyl-4-propan-2-ylphenyl)-7-methoxy-2-(trideuteriomethyl)indazole
SMILES[2H]C([2H])([2H])n1cc2c(-c3cc(C)c(C(C)C)c(F)c3)ccc(OC)c2n1
InChIInChI=1S/C19H21FN2O/c1-11(2)18-12(3)8-13(9-16(18)20)14-6-7-17(23-5)19-15(14)10-22(4)21-19/h6-11H,1-5H3/i4D3
InChIKeyYJLKNIVQHVXZMD-GKOSEXJESA-N
XLogP4.82
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-4-propan-2-yl-2-(trideuteriomethyl)indazole
CID 171760307
4-(3,5-difluoro-4-propan-2-ylphenyl)-2-(trideuteriomethyl)pyrazolo[3,4-b]pyridine
CID 171760273
7-fluoro-4-(3-fluoro-4-methylphenyl)-2-methylindazole
CID 166076510
5-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1,3,4-trimethylpyridin-2-one
CID 177322220
3-fluoro-4-(4-methoxy-3-methylphenyl)aniline
CID 65436397
CID 175616533
CID 175616533
4-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117412665
1-(3-fluoro-4-methylphenyl)-4-methoxy-2,3-dimethylbenzene
CID 118188502
7,7-dideuterio-6-[[4-[7-(difluoromethoxy)-2-methylindazol-4-yl]-2,6-difluorophenyl]methyl]pyrrolo[3,4-b]pyridin-5-one
CID 171760290
CID 166076832
CID 166076832
5-(3-fluoro-4-propan-2-ylphenyl)-2,7-dimethylindazole
CID 171760423
CID 166076412
CID 166076412

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-5-methyl-4-propan-2-ylphenyl)-7-methoxy-2-(trideuteriomethyl)indazole?
The IUPAC name of 4-(3-fluoro-5-methyl-4-propan-2-ylphenyl)-7-methoxy-2-(trideuteriomethyl)indazole (CID 171760643) is 4-(3-fluoro-5-methyl-4-propan-2-ylphenyl)-7-methoxy-2-(trideuteriomethyl)indazole.
What is the SMILES notation for 4-(3-fluoro-5-methyl-4-propan-2-ylphenyl)-7-methoxy-2-(trideuteriomethyl)indazole?
The canonical SMILES for 4-(3-fluoro-5-methyl-4-propan-2-ylphenyl)-7-methoxy-2-(trideuteriomethyl)indazole is [2H]C([2H])([2H])n1cc2c(-c3cc(C)c(C(C)C)c(F)c3)ccc(OC)c2n1.
What is the InChIKey of 4-(3-fluoro-5-methyl-4-propan-2-ylphenyl)-7-methoxy-2-(trideuteriomethyl)indazole?
The InChIKey is YJLKNIVQHVXZMD-GKOSEXJESA-N. The full InChI is InChI=1S/C19H21FN2O/c1-11(2)18-12(3)8-13(9-16(18)20)14-6-7-17(23-5)19-15(14)10-22(4)21-19/h6-11H,1-5H3/i4D3.
What are the key properties of 4-(3-fluoro-5-methyl-4-propan-2-ylphenyl)-7-methoxy-2-(trideuteriomethyl)indazole?
4-(3-fluoro-5-methyl-4-propan-2-ylphenyl)-7-methoxy-2-(trideuteriomethyl)indazole has a molecular weight of 315.41 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-5-methyl-4-propan-2-ylphenyl)-7-methoxy-2-(trideuteriomethyl)indazole is sourced from PubChem (CID 171760643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).