3-(2,6-difluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4-methylphenyl)indazole-6-carboxamide

C26H21F2N5O2 — CID 46945976

IUPAC3-(2,6-difluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4-methylphenyl)indazole-6-carboxamide
SMILESCc1ccc(-n2nc(-c3c(F)cccc3F)c3ccc(C(=O)N[C@H](C)c4nc(C)no4)cc32)cc1
InChIInChI=1S/C26H21F2N5O2/c1-14-7-10-18(11-8-14)33-22-13-17(25(34)29-15(2)26-30-16(3)32-35-26)9-12-19(22)24(31-33)23-20(27)5-4-6-21(23)28/h4-13,15H,1-3H3,(H,29,34)/t15-/m1/s1
InChIKeyFJGJHSJKKCZMOJ-OAHLLOKOSA-N
MW473.48 g/mol
LogP5.46
Rot. Bonds5

About 3-(2,6-difluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4-methylphenyl)indazole-6-carboxamide

3-(2,6-difluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4-methylphenyl)indazole-6-carboxamide (PubChem CID 46945976) has the molecular formula C26H21F2N5O2 and a molecular weight of 473.48 g/mol. Its IUPAC name is 3-(2,6-difluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4-methylphenyl)indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2,6-difluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4-methylphenyl)indazole-6-carboxamide
PubChem CID46945976
Molecular FormulaC26H21F2N5O2
Molecular Weight473.48 g/mol
Exact Mass473.17
IUPAC Name3-(2,6-difluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4-methylphenyl)indazole-6-carboxamide
SMILESCc1ccc(-n2nc(-c3c(F)cccc3F)c3ccc(C(=O)N[C@H](C)c4nc(C)no4)cc32)cc1
InChIInChI=1S/C26H21F2N5O2/c1-14-7-10-18(11-8-14)33-22-13-17(25(34)29-15(2)26-30-16(3)32-35-26)9-12-19(22)24(31-33)23-20(27)5-4-6-21(23)28/h4-13,15H,1-3H3,(H,29,34)/t15-/m1/s1
InChIKeyFJGJHSJKKCZMOJ-OAHLLOKOSA-N
XLogP5.46
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.48
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4-methylphenyl)indazole-6-carboxamide?
The IUPAC name of 3-(2,6-difluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4-methylphenyl)indazole-6-carboxamide (CID 46945976) is 3-(2,6-difluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4-methylphenyl)indazole-6-carboxamide.
What is the SMILES notation for 3-(2,6-difluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4-methylphenyl)indazole-6-carboxamide?
The canonical SMILES for 3-(2,6-difluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4-methylphenyl)indazole-6-carboxamide is Cc1ccc(-n2nc(-c3c(F)cccc3F)c3ccc(C(=O)N[C@H](C)c4nc(C)no4)cc32)cc1.
What is the InChIKey of 3-(2,6-difluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4-methylphenyl)indazole-6-carboxamide?
The InChIKey is FJGJHSJKKCZMOJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C26H21F2N5O2/c1-14-7-10-18(11-8-14)33-22-13-17(25(34)29-15(2)26-30-16(3)32-35-26)9-12-19(22)24(31-33)23-20(27)5-4-6-21(23)28/h4-13,15H,1-3H3,(H,29,34)/t15-/m1/s1.
What are the key properties of 3-(2,6-difluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4-methylphenyl)indazole-6-carboxamide?
3-(2,6-difluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4-methylphenyl)indazole-6-carboxamide has a molecular weight of 473.48 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluorophenyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-(4-methylphenyl)indazole-6-carboxamide is sourced from PubChem (CID 46945976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).