N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,2-dimethyl-5-(trifluoromethyl)imidazole-4-carboxamide

C22H17F3N6O — CID 143903858

IUPACN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,2-dimethyl-5-(trifluoromethyl)imidazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cc(-c3cccc4[nH]ccc34)cc3[nH]ncc23)c(C(F)(F)F)n1C
InChIInChI=1S/C22H17F3N6O/c1-11-28-19(20(31(11)2)22(23,24)25)21(32)29-17-8-12(9-18-15(17)10-27-30-18)13-4-3-5-16-14(13)6-7-26-16/h3-10,26H,1-2H3,(H,27,30)(H,29,32)
InChIKeyREEBZJLZJBNWHO-UHFFFAOYSA-N
MW438.41 g/mol
LogP5.02
Rot. Bonds3

About N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,2-dimethyl-5-(trifluoromethyl)imidazole-4-carboxamide

N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,2-dimethyl-5-(trifluoromethyl)imidazole-4-carboxamide (PubChem CID 143903858) has the molecular formula C22H17F3N6O and a molecular weight of 438.41 g/mol. Its IUPAC name is N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,2-dimethyl-5-(trifluoromethyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,2-dimethyl-5-(trifluoromethyl)imidazole-4-carboxamide
PubChem CID143903858
Molecular FormulaC22H17F3N6O
Molecular Weight438.41 g/mol
Exact Mass438.14
IUPAC NameN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,2-dimethyl-5-(trifluoromethyl)imidazole-4-carboxamide
SMILESCc1nc(C(=O)Nc2cc(-c3cccc4[nH]ccc34)cc3[nH]ncc23)c(C(F)(F)F)n1C
InChIInChI=1S/C22H17F3N6O/c1-11-28-19(20(31(11)2)22(23,24)25)21(32)29-17-8-12(9-18-15(17)10-27-30-18)13-4-3-5-16-14(13)6-7-26-16/h3-10,26H,1-2H3,(H,27,30)(H,29,32)
InChIKeyREEBZJLZJBNWHO-UHFFFAOYSA-N
XLogP5.02
TPSA91.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.41
LogP ≤ 55.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,2-dimethyl-5-(trifluoromethyl)imidazole-4-carboxamide?
The IUPAC name of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,2-dimethyl-5-(trifluoromethyl)imidazole-4-carboxamide (CID 143903858) is N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,2-dimethyl-5-(trifluoromethyl)imidazole-4-carboxamide.
What is the SMILES notation for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,2-dimethyl-5-(trifluoromethyl)imidazole-4-carboxamide?
The canonical SMILES for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,2-dimethyl-5-(trifluoromethyl)imidazole-4-carboxamide is Cc1nc(C(=O)Nc2cc(-c3cccc4[nH]ccc34)cc3[nH]ncc23)c(C(F)(F)F)n1C.
What is the InChIKey of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,2-dimethyl-5-(trifluoromethyl)imidazole-4-carboxamide?
The InChIKey is REEBZJLZJBNWHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N6O/c1-11-28-19(20(31(11)2)22(23,24)25)21(32)29-17-8-12(9-18-15(17)10-27-30-18)13-4-3-5-16-14(13)6-7-26-16/h3-10,26H,1-2H3,(H,27,30)(H,29,32).
What are the key properties of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,2-dimethyl-5-(trifluoromethyl)imidazole-4-carboxamide?
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,2-dimethyl-5-(trifluoromethyl)imidazole-4-carboxamide has a molecular weight of 438.41 g/mol, XLogP of 5.02, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-1,2-dimethyl-5-(trifluoromethyl)imidazole-4-carboxamide is sourced from PubChem (CID 143903858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).