N-(2-ethyl-4-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide

C24H25F3N4O — CID 155322741

IUPACN-(2-ethyl-4-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
SMILESCCc1cc(N(C)C(=O)c2cccc(-n3nc(C(F)(F)F)c4c3C(C)CCC4)c2)ccn1
InChIInChI=1S/C24H25F3N4O/c1-4-17-14-18(11-12-28-17)30(3)23(32)16-8-6-9-19(13-16)31-21-15(2)7-5-10-20(21)22(29-31)24(25,26)27/h6,8-9,11-15H,4-5,7,10H2,1-3H3
InChIKeyOOQBCZVRCBEFHS-UHFFFAOYSA-N
MW442.49 g/mol
LogP5.56
Rot. Bonds4

About N-(2-ethyl-4-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide

N-(2-ethyl-4-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide (PubChem CID 155322741) has the molecular formula C24H25F3N4O and a molecular weight of 442.49 g/mol. Its IUPAC name is N-(2-ethyl-4-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(2-ethyl-4-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
PubChem CID155322741
Molecular FormulaC24H25F3N4O
Molecular Weight442.49 g/mol
Exact Mass442.20
IUPAC NameN-(2-ethyl-4-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
SMILESCCc1cc(N(C)C(=O)c2cccc(-n3nc(C(F)(F)F)c4c3C(C)CCC4)c2)ccn1
InChIInChI=1S/C24H25F3N4O/c1-4-17-14-18(11-12-28-17)30(3)23(32)16-8-6-9-19(13-16)31-21-15(2)7-5-10-20(21)22(29-31)24(25,26)27/h6,8-9,11-15H,4-5,7,10H2,1-3H3
InChIKeyOOQBCZVRCBEFHS-UHFFFAOYSA-N
XLogP5.56
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.49
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-cyano-3-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
CID 155322767
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
ethyl 3-[7-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzoate
CID 149447997
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
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
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
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
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
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
4-[[(7R)-1-[3-[[2-(difluoromethoxy)-4-pyridinyl]-methylcarbamoyl]phenyl]-3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[3,4-d]pyrazol-7-yl]oxy]benzoic acid
CID 155316947
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

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-4-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide?
The IUPAC name of N-(2-ethyl-4-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide (CID 155322741) is N-(2-ethyl-4-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide.
What is the SMILES notation for N-(2-ethyl-4-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide?
The canonical SMILES for N-(2-ethyl-4-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide is CCc1cc(N(C)C(=O)c2cccc(-n3nc(C(F)(F)F)c4c3C(C)CCC4)c2)ccn1.
What is the InChIKey of N-(2-ethyl-4-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide?
The InChIKey is OOQBCZVRCBEFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N4O/c1-4-17-14-18(11-12-28-17)30(3)23(32)16-8-6-9-19(13-16)31-21-15(2)7-5-10-20(21)22(29-31)24(25,26)27/h6,8-9,11-15H,4-5,7,10H2,1-3H3.
What are the key properties of N-(2-ethyl-4-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide?
N-(2-ethyl-4-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide has a molecular weight of 442.49 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-4-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide is sourced from PubChem (CID 155322741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).