5-[6-[(2,4-dimethylimidazol-1-yl)methyl]pyrimidin-4-yl]oxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]indole-1-carboxamide

C26H20F4N6O2 — CID 59394281

IUPAC5-[6-[(2,4-dimethylimidazol-1-yl)methyl]pyrimidin-4-yl]oxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]indole-1-carboxamide
SMILESCc1cn(Cc2cc(Oc3ccc4c(ccn4C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3)ncn2)c(C)n1
InChIInChI=1S/C26H20F4N6O2/c1-15-12-35(16(2)33-15)13-19-11-24(32-14-31-19)38-20-4-6-23-17(9-20)7-8-36(23)25(37)34-18-3-5-22(27)21(10-18)26(28,29)30/h3-12,14H,13H2,1-2H3,(H,34,37)
InChIKeyFZAYMLVQSINDOG-UHFFFAOYSA-N
MW524.48 g/mol
LogP6.32
Rot. Bonds5

About 5-[6-[(2,4-dimethylimidazol-1-yl)methyl]pyrimidin-4-yl]oxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]indole-1-carboxamide

5-[6-[(2,4-dimethylimidazol-1-yl)methyl]pyrimidin-4-yl]oxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]indole-1-carboxamide (PubChem CID 59394281) has the molecular formula C26H20F4N6O2 and a molecular weight of 524.48 g/mol. Its IUPAC name is 5-[6-[(2,4-dimethylimidazol-1-yl)methyl]pyrimidin-4-yl]oxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]indole-1-carboxamide.

Molecular Properties

Compound Name5-[6-[(2,4-dimethylimidazol-1-yl)methyl]pyrimidin-4-yl]oxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]indole-1-carboxamide
PubChem CID59394281
Molecular FormulaC26H20F4N6O2
Molecular Weight524.48 g/mol
Exact Mass524.16
IUPAC Name5-[6-[(2,4-dimethylimidazol-1-yl)methyl]pyrimidin-4-yl]oxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]indole-1-carboxamide
SMILESCc1cn(Cc2cc(Oc3ccc4c(ccn4C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3)ncn2)c(C)n1
InChIInChI=1S/C26H20F4N6O2/c1-15-12-35(16(2)33-15)13-19-11-24(32-14-31-19)38-20-4-6-23-17(9-20)7-8-36(23)25(37)34-18-3-5-22(27)21(10-18)26(28,29)30/h3-12,14H,13H2,1-2H3,(H,34,37)
InChIKeyFZAYMLVQSINDOG-UHFFFAOYSA-N
XLogP6.32
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.48
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[6-[(2,4-dimethylimidazol-1-yl)methyl]pyrimidin-4-yl]oxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]indole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[6-[(2,4-dimethylimidazol-1-yl)methyl]pyrimidin-4-yl]oxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]indole-1-carboxamide?
The IUPAC name of 5-[6-[(2,4-dimethylimidazol-1-yl)methyl]pyrimidin-4-yl]oxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]indole-1-carboxamide (CID 59394281) is 5-[6-[(2,4-dimethylimidazol-1-yl)methyl]pyrimidin-4-yl]oxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]indole-1-carboxamide.
What is the SMILES notation for 5-[6-[(2,4-dimethylimidazol-1-yl)methyl]pyrimidin-4-yl]oxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]indole-1-carboxamide?
The canonical SMILES for 5-[6-[(2,4-dimethylimidazol-1-yl)methyl]pyrimidin-4-yl]oxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]indole-1-carboxamide is Cc1cn(Cc2cc(Oc3ccc4c(ccn4C(=O)Nc4ccc(F)c(C(F)(F)F)c4)c3)ncn2)c(C)n1.
What is the InChIKey of 5-[6-[(2,4-dimethylimidazol-1-yl)methyl]pyrimidin-4-yl]oxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]indole-1-carboxamide?
The InChIKey is FZAYMLVQSINDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F4N6O2/c1-15-12-35(16(2)33-15)13-19-11-24(32-14-31-19)38-20-4-6-23-17(9-20)7-8-36(23)25(37)34-18-3-5-22(27)21(10-18)26(28,29)30/h3-12,14H,13H2,1-2H3,(H,34,37).
What are the key properties of 5-[6-[(2,4-dimethylimidazol-1-yl)methyl]pyrimidin-4-yl]oxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]indole-1-carboxamide?
5-[6-[(2,4-dimethylimidazol-1-yl)methyl]pyrimidin-4-yl]oxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]indole-1-carboxamide has a molecular weight of 524.48 g/mol, XLogP of 6.32, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[(2,4-dimethylimidazol-1-yl)methyl]pyrimidin-4-yl]oxy-N-[4-fluoro-3-(trifluoromethyl)phenyl]indole-1-carboxamide is sourced from PubChem (CID 59394281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).