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

C23H20F3N5O2 — CID 155061584

IUPACN-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
SMILESCc1nc2ncc(NC(=O)c3cccc(-n4nc(C(F)(F)F)c5c4C(C)CCC5)c3)cc2o1
InChIInChI=1S/C23H20F3N5O2/c1-12-5-3-8-17-19(12)31(30-20(17)23(24,25)26)16-7-4-6-14(9-16)22(32)29-15-10-18-21(27-11-15)28-13(2)33-18/h4,6-7,9-12H,3,5,8H2,1-2H3,(H,29,32)
InChIKeyMNTCGGQBGAXJPW-UHFFFAOYSA-N
MW455.44 g/mol
LogP5.43
Rot. Bonds3

About 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

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 (PubChem CID 155061584) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
PubChem CID155061584
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC NameN-(2-methyl-[1,3]oxazolo[4,5-b]pyridin-6-yl)-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
SMILESCc1nc2ncc(NC(=O)c3cccc(-n4nc(C(F)(F)F)c5c4C(C)CCC5)c3)cc2o1
InChIInChI=1S/C23H20F3N5O2/c1-12-5-3-8-17-19(12)31(30-20(17)23(24,25)26)16-7-4-6-14(9-16)22(32)29-15-10-18-21(27-11-15)28-13(2)33-18/h4,6-7,9-12H,3,5,8H2,1-2H3,(H,29,32)
InChIKeyMNTCGGQBGAXJPW-UHFFFAOYSA-N
XLogP5.43
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.44
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-(5-cyano-3-pyridinyl)-N-methyl-3-[7-methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzamide
CID 155322767
ethyl 3-[7-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]benzoate
CID 149447997
tert-butyl 4-[[1-[3-[2-(5-fluoro-2-methyl-1,3-benzoxazol-6-yl)acetyl]phenyl]-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-7-yl]oxy]benzoate
CID 159365849
N-(1,3-benzodioxol-5-yl)-3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 135330794
ethyl 3-[3-(difluoromethyl)-7-methyl-4,5,6,7-tetrahydroindazol-1-yl]benzoate
CID 155061532
N-(4-hydroxy-3-methylphenyl)-3-[5-(trifluoromethyl)pyrazol-1-yl]benzamide
CID 99703386
3-[5-(2,2-dimethylpropanoyl)-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]-N-(2-methoxy-4-pyridinyl)benzamide
CID 135331418
N-(2-methyl-1,3-benzoxazol-5-yl)-3-(trifluoromethyl)benzamide
CID 34303593
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]benzamide
CID 142429085
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc2ncc(NC(=O)c3cccc(-n4nc(C(F)(F)F)c5c4C(C)CCC5)c3)cc2o1.
What is the InChIKey of 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?
The InChIKey is MNTCGGQBGAXJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c1-12-5-3-8-17-19(12)31(30-20(17)23(24,25)26)16-7-4-6-14(9-16)22(32)29-15-10-18-21(27-11-15)28-13(2)33-18/h4,6-7,9-12H,3,5,8H2,1-2H3,(H,29,32).
What are the key properties of 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?
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 has a molecular weight of 455.44 g/mol, XLogP of 5.43, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155061584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).