3-[3-(2,3-dimethylimidazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide

C22H22FN5O — CID 11618072

IUPAC3-[3-(2,3-dimethylimidazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide
SMILESCCNC(=O)c1cc(F)c(C)c(-c2ccc3c(-c4cnc(C)n4C)n[nH]c3c2)c1
InChIInChI=1S/C22H22FN5O/c1-5-24-22(29)15-8-17(12(2)18(23)9-15)14-6-7-16-19(10-14)26-27-21(16)20-11-25-13(3)28(20)4/h6-11H,5H2,1-4H3,(H,24,29)(H,26,27)
InChIKeyXLPWDCDRNPGIQC-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.14
Rot. Bonds4

About 3-[3-(2,3-dimethylimidazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide

3-[3-(2,3-dimethylimidazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide (PubChem CID 11618072) has the molecular formula C22H22FN5O and a molecular weight of 391.45 g/mol. Its IUPAC name is 3-[3-(2,3-dimethylimidazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide.

Molecular Properties

Compound Name3-[3-(2,3-dimethylimidazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide
PubChem CID11618072
Molecular FormulaC22H22FN5O
Molecular Weight391.45 g/mol
Exact Mass391.18
IUPAC Name3-[3-(2,3-dimethylimidazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide
SMILESCCNC(=O)c1cc(F)c(C)c(-c2ccc3c(-c4cnc(C)n4C)n[nH]c3c2)c1
InChIInChI=1S/C22H22FN5O/c1-5-24-22(29)15-8-17(12(2)18(23)9-15)14-6-7-16-19(10-14)26-27-21(16)20-11-25-13(3)28(20)4/h6-11H,5H2,1-4H3,(H,24,29)(H,26,27)
InChIKeyXLPWDCDRNPGIQC-UHFFFAOYSA-N
XLogP4.14
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(2,5-dimethylpyrazol-3-yl)-1H-indazol-6-yl]-N-ethyl-4-methylbenzamide
CID 11501649
N-ethyl-3-fluoro-5-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]-4-methylbenzamide
CID 58919729
N-ethyl-3-(1-methyl-2-oxo-4-pyridinyl)-1H-indazole-6-carboxamide
CID 172895805
3-[4-chloro-5-(4-fluorobenzoyl)-2-pyridinyl]-N-ethyl-5-fluoro-4-methylbenzamide
CID 58919705
N-cyclopropyl-3-[3-(4-fluorophenyl)-1H-indazol-6-yl]-4-methylbenzamide
CID 11660998
N-ethyl-3,4-dimethyl-5-[3-(oxolan-3-yl)-2H-indazol-6-yl]benzamide
CID 58899601
3-fluoro-N-[[4-[3-(1-methylpyrazol-4-yl)-1H-indazol-6-yl]phenyl]methyl]benzamide
CID 66995319
2-[5-(2,3-dimethylimidazol-4-yl)-1H-indazol-3-yl]-4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine
CID 137111808
N-[(2S)-3,3-difluorobutan-2-yl]-5-(2,3-dimethylimidazol-4-yl)-1H-indazole-3-carboxamide
CID 158874366
5-[3-(4,6-difluoro-1H-benzimidazol-2-yl)-1H-indazol-5-yl]-N-ethyl-4-methylpyridine-3-carboxamide
CID 175464494
5-(2,3-dimethylimidazol-4-yl)-3-[4-(2-fluorophenyl)-1H-indol-2-yl]-1H-indazole
CID 137115814
5-(2,3-dimethylimidazol-4-yl)-N-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide
CID 139448036

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dimethylimidazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide?
The IUPAC name of 3-[3-(2,3-dimethylimidazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide (CID 11618072) is 3-[3-(2,3-dimethylimidazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide.
What is the SMILES notation for 3-[3-(2,3-dimethylimidazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide?
The canonical SMILES for 3-[3-(2,3-dimethylimidazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide is CCNC(=O)c1cc(F)c(C)c(-c2ccc3c(-c4cnc(C)n4C)n[nH]c3c2)c1.
What is the InChIKey of 3-[3-(2,3-dimethylimidazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide?
The InChIKey is XLPWDCDRNPGIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O/c1-5-24-22(29)15-8-17(12(2)18(23)9-15)14-6-7-16-19(10-14)26-27-21(16)20-11-25-13(3)28(20)4/h6-11H,5H2,1-4H3,(H,24,29)(H,26,27).
What are the key properties of 3-[3-(2,3-dimethylimidazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide?
3-[3-(2,3-dimethylimidazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide has a molecular weight of 391.45 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dimethylimidazol-4-yl)-1H-indazol-6-yl]-N-ethyl-5-fluoro-4-methylbenzamide is sourced from PubChem (CID 11618072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).