N-(5-cyano-3-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide

C23H20F3N5O — CID 155322767

IUPACN-(5-cyano-3-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
SMILESCC1CCCc2c(C(F)(F)F)nn(-c3cccc(C(=O)N(C)c4cncc(C#N)c4)c3)c21
InChIInChI=1S/C23H20F3N5O/c1-14-5-3-8-19-20(14)31(29-21(19)23(24,25)26)17-7-4-6-16(10-17)22(32)30(2)18-9-15(11-27)12-28-13-18/h4,6-7,9-10,12-14H,3,5,8H2,1-2H3
InChIKeyMMIZBQZVCDJONW-UHFFFAOYSA-N
MW439.44 g/mol
LogP4.87
Rot. Bonds3

About N-(5-cyano-3-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide

N-(5-cyano-3-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide (PubChem CID 155322767) has the molecular formula C23H20F3N5O and a molecular weight of 439.44 g/mol. Its IUPAC name is N-(5-cyano-3-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(5-cyano-3-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
PubChem CID155322767
Molecular FormulaC23H20F3N5O
Molecular Weight439.44 g/mol
Exact Mass439.16
IUPAC NameN-(5-cyano-3-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
SMILESCC1CCCc2c(C(F)(F)F)nn(-c3cccc(C(=O)N(C)c4cncc(C#N)c4)c3)c21
InChIInChI=1S/C23H20F3N5O/c1-14-5-3-8-19-20(14)31(29-21(19)23(24,25)26)17-7-4-6-16(10-17)22(32)30(2)18-9-15(11-27)12-28-13-18/h4,6-7,9-10,12-14H,3,5,8H2,1-2H3
InChIKeyMMIZBQZVCDJONW-UHFFFAOYSA-N
XLogP4.87
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethyl-4-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
CID 155322741
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methyl-3-[7-[(6-methyl-3-pyridinyl)oxy]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
CID 155051146
4-[[(7S)-1-[3-[2,3-dihydro-1-benzofuran-6-yl(methyl)carbamoyl]phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-7-yl]oxy]benzoic acid
CID 155322761
4-[[(7R)-1-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)-methylcarbamoyl]phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-7-yl]oxy]benzoic acid
CID 142428844
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-N-methyl-3-[7-oxo-3-(trifluoromethyl)-5,6-dihydro-4H-indazol-1-yl]benzamide
CID 164903158
3-[(7S)-7-(4-carbamoylphenoxy)-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-methylbenzamide
CID 155317010
ethyl 3-[[(7S)-1-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)-methylcarbamoyl]phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-7-yl]oxy]benzoate
CID 142428849
ethyl 3-[[(7R)-1-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)-methylcarbamoyl]phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-7-yl]oxy]benzoate
CID 142428785
N-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
CID 155061584
ethyl 3-[7-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzoate
CID 149447997
4-[[1-[3-[(2,2-difluoro-1,3-benzodioxol-5-yl)-methylcarbamoyl]phenyl]-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-6-yl]oxy]benzoic acid
CID 155051121
N-(1,3-benzodioxol-5-yl)-3-[4-cyclopropyl-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylbenzamide
CID 135330908

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-3-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide?
The IUPAC name of N-(5-cyano-3-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide (CID 155322767) is N-(5-cyano-3-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide.
What is the SMILES notation for N-(5-cyano-3-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide?
The canonical SMILES for N-(5-cyano-3-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide is CC1CCCc2c(C(F)(F)F)nn(-c3cccc(C(=O)N(C)c4cncc(C#N)c4)c3)c21.
What is the InChIKey of N-(5-cyano-3-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide?
The InChIKey is MMIZBQZVCDJONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O/c1-14-5-3-8-19-20(14)31(29-21(19)23(24,25)26)17-7-4-6-16(10-17)22(32)30(2)18-9-15(11-27)12-28-13-18/h4,6-7,9-10,12-14H,3,5,8H2,1-2H3.
What are the key properties of N-(5-cyano-3-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide?
N-(5-cyano-3-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide has a molecular weight of 439.44 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-3-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide is sourced from PubChem (CID 155322767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).