3-ethyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-(trifluoromethyl)indazol-1-yl]benzamide

C24H20F3N7O — CID 57413955

IUPAC3-ethyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-(trifluoromethyl)indazol-1-yl]benzamide
SMILESCCc1cc(C(N)=O)ccc1-n1nc(C(F)(F)F)c2c(-n3cnc(-c4cnn(C)c4)c3)cccc21
InChIInChI=1S/C24H20F3N7O/c1-3-14-9-15(23(28)35)7-8-18(14)34-20-6-4-5-19(21(20)22(31-34)24(25,26)27)33-12-17(29-13-33)16-10-30-32(2)11-16/h4-13H,3H2,1-2H3,(H2,28,35)
InChIKeyXLYKRUMFTMQYIR-UHFFFAOYSA-N
MW479.47 g/mol
LogP4.29
Rot. Bonds5

About 3-ethyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-(trifluoromethyl)indazol-1-yl]benzamide

3-ethyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-(trifluoromethyl)indazol-1-yl]benzamide (PubChem CID 57413955) has the molecular formula C24H20F3N7O and a molecular weight of 479.47 g/mol. Its IUPAC name is 3-ethyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-(trifluoromethyl)indazol-1-yl]benzamide.

Molecular Properties

Compound Name3-ethyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-(trifluoromethyl)indazol-1-yl]benzamide
PubChem CID57413955
Molecular FormulaC24H20F3N7O
Molecular Weight479.47 g/mol
Exact Mass479.17
IUPAC Name3-ethyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-(trifluoromethyl)indazol-1-yl]benzamide
SMILESCCc1cc(C(N)=O)ccc1-n1nc(C(F)(F)F)c2c(-n3cnc(-c4cnn(C)c4)c3)cccc21
InChIInChI=1S/C24H20F3N7O/c1-3-14-9-15(23(28)35)7-8-18(14)34-20-6-4-5-19(21(20)22(31-34)24(25,26)27)33-12-17(29-13-33)16-10-30-32(2)11-16/h4-13H,3H2,1-2H3,(H2,28,35)
InChIKeyXLYKRUMFTMQYIR-UHFFFAOYSA-N
XLogP4.29
TPSA96.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.47
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-(trifluoromethyl)indazol-1-yl]benzamide?
The IUPAC name of 3-ethyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-(trifluoromethyl)indazol-1-yl]benzamide (CID 57413955) is 3-ethyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-(trifluoromethyl)indazol-1-yl]benzamide.
What is the SMILES notation for 3-ethyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-(trifluoromethyl)indazol-1-yl]benzamide?
The canonical SMILES for 3-ethyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-(trifluoromethyl)indazol-1-yl]benzamide is CCc1cc(C(N)=O)ccc1-n1nc(C(F)(F)F)c2c(-n3cnc(-c4cnn(C)c4)c3)cccc21.
What is the InChIKey of 3-ethyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-(trifluoromethyl)indazol-1-yl]benzamide?
The InChIKey is XLYKRUMFTMQYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N7O/c1-3-14-9-15(23(28)35)7-8-18(14)34-20-6-4-5-19(21(20)22(31-34)24(25,26)27)33-12-17(29-13-33)16-10-30-32(2)11-16/h4-13H,3H2,1-2H3,(H2,28,35).
What are the key properties of 3-ethyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-(trifluoromethyl)indazol-1-yl]benzamide?
3-ethyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-(trifluoromethyl)indazol-1-yl]benzamide has a molecular weight of 479.47 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-[4-[4-(1-methylpyrazol-4-yl)imidazol-1-yl]-3-(trifluoromethyl)indazol-1-yl]benzamide is sourced from PubChem (CID 57413955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).