N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide

C25H22F4N4O — CID 143913104

IUPACN-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
SMILESCc1nn(C)c2ccc(N(CCc3ccc(C(F)(F)F)nc3)C(=O)Cc3ccc(F)cc3)cc12
InChIInChI=1S/C25H22F4N4O/c1-16-21-14-20(8-9-22(21)32(2)31-16)33(24(34)13-17-3-6-19(26)7-4-17)12-11-18-5-10-23(30-15-18)25(27,28)29/h3-10,14-15H,11-13H2,1-2H3
InChIKeyBYWHSGDLZVQYHG-UHFFFAOYSA-N
MW470.47 g/mol
LogP5.25
Rot. Bonds6

About N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide

N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide (PubChem CID 143913104) has the molecular formula C25H22F4N4O and a molecular weight of 470.47 g/mol. Its IUPAC name is N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound NameN-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
PubChem CID143913104
Molecular FormulaC25H22F4N4O
Molecular Weight470.47 g/mol
Exact Mass470.17
IUPAC NameN-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide
SMILESCc1nn(C)c2ccc(N(CCc3ccc(C(F)(F)F)nc3)C(=O)Cc3ccc(F)cc3)cc12
InChIInChI=1S/C25H22F4N4O/c1-16-21-14-20(8-9-22(21)32(2)31-16)33(24(34)13-17-3-6-19(26)7-4-17)12-11-18-5-10-23(30-15-18)25(27,28)29/h3-10,14-15H,11-13H2,1-2H3
InChIKeyBYWHSGDLZVQYHG-UHFFFAOYSA-N
XLogP5.25
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.47
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
The IUPAC name of N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide (CID 143913104) is N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide.
What is the SMILES notation for N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
The canonical SMILES for N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide is Cc1nn(C)c2ccc(N(CCc3ccc(C(F)(F)F)nc3)C(=O)Cc3ccc(F)cc3)cc12.
What is the InChIKey of N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
The InChIKey is BYWHSGDLZVQYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N4O/c1-16-21-14-20(8-9-22(21)32(2)31-16)33(24(34)13-17-3-6-19(26)7-4-17)12-11-18-5-10-23(30-15-18)25(27,28)29/h3-10,14-15H,11-13H2,1-2H3.
What are the key properties of N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide?
N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide has a molecular weight of 470.47 g/mol, XLogP of 5.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethylindazol-5-yl)-2-(4-fluorophenyl)-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 143913104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).