N-[3-[3-[hydroxy(methoxy)methyl]-2H-indazol-6-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide

C27H25F3N4O4 — CID 91496237

IUPACN-[3-[3-[hydroxy(methoxy)methyl]-2H-indazol-6-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
SMILESCOC(O)c1[nH]nc2cc(-c3cccc(NC(=O)c4cc(N5CCOCC5)cc(C(F)(F)F)c4)c3)ccc12
InChIInChI=1S/C27H25F3N4O4/c1-37-26(36)24-22-6-5-17(14-23(22)32-33-24)16-3-2-4-20(12-16)31-25(35)18-11-19(27(28,29)30)15-21(13-18)34-7-9-38-10-8-34/h2-6,11-15,26,36H,7-10H2,1H3,(H,31,35)(H,32,33)
InChIKeyNQFPUJRZFPMCFK-UHFFFAOYSA-N
MW526.52 g/mol
LogP4.97
Rot. Bonds6

About N-[3-[3-[hydroxy(methoxy)methyl]-2H-indazol-6-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide

N-[3-[3-[hydroxy(methoxy)methyl]-2H-indazol-6-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide (PubChem CID 91496237) has the molecular formula C27H25F3N4O4 and a molecular weight of 526.52 g/mol. Its IUPAC name is N-[3-[3-[hydroxy(methoxy)methyl]-2H-indazol-6-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[3-[hydroxy(methoxy)methyl]-2H-indazol-6-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
PubChem CID91496237
Molecular FormulaC27H25F3N4O4
Molecular Weight526.52 g/mol
Exact Mass526.18
IUPAC NameN-[3-[3-[hydroxy(methoxy)methyl]-2H-indazol-6-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
SMILESCOC(O)c1[nH]nc2cc(-c3cccc(NC(=O)c4cc(N5CCOCC5)cc(C(F)(F)F)c4)c3)ccc12
InChIInChI=1S/C27H25F3N4O4/c1-37-26(36)24-22-6-5-17(14-23(22)32-33-24)16-3-2-4-20(12-16)31-25(35)18-11-19(27(28,29)30)15-21(13-18)34-7-9-38-10-8-34/h2-6,11-15,26,36H,7-10H2,1H3,(H,31,35)(H,32,33)
InChIKeyNQFPUJRZFPMCFK-UHFFFAOYSA-N
XLogP4.97
TPSA99.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.52
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1-acetyl-3H-isoindol-5-yl)phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 147285112
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]-3,5-bis(trifluoromethyl)benzamide
CID 41077695
N-[3-[1-(6-ethylpyrimidin-4-yl)-3-(4-methylphenyl)indol-6-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 58159674
ethyl 6-[3-[[3-(4-hydroxypiperidin-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]-1H-indazole-3-carboxylate
CID 46234241
3-morpholin-4-yl-N-[3-(4-oxo-3,5-dihydrothieno[3,4-b][1,4]diazepin-2-yl)phenyl]-5-(trifluoromethyl)benzamide
CID 122521206
N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2565226
3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-5-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]benzamide
CID 44547277
methyl N-[3-[(4-morpholin-4-ylphenyl)carbamoyl]-5-(trifluoromethyl)phenyl]carbamate
CID 167841855
N-[3-(8-acetamidoquinolin-4-yl)oxy-4-methylphenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 44583657
N-[4-methyl-3-[(3-piperidin-4-ylbenzoyl)amino]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 174382009
3-(4-ethylpiperazin-1-yl)-N-[4-methyl-3-(2-morpholin-4-yl-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide
CID 90408857
3-(4-methylpiperazin-1-yl)-N-[3-[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]phenyl]-5-(trifluoromethyl)benzamide
CID 59804350

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[hydroxy(methoxy)methyl]-2H-indazol-6-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[3-[hydroxy(methoxy)methyl]-2H-indazol-6-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide (CID 91496237) is N-[3-[3-[hydroxy(methoxy)methyl]-2H-indazol-6-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[3-[hydroxy(methoxy)methyl]-2H-indazol-6-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[3-[hydroxy(methoxy)methyl]-2H-indazol-6-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide is COC(O)c1[nH]nc2cc(-c3cccc(NC(=O)c4cc(N5CCOCC5)cc(C(F)(F)F)c4)c3)ccc12.
What is the InChIKey of N-[3-[3-[hydroxy(methoxy)methyl]-2H-indazol-6-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide?
The InChIKey is NQFPUJRZFPMCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F3N4O4/c1-37-26(36)24-22-6-5-17(14-23(22)32-33-24)16-3-2-4-20(12-16)31-25(35)18-11-19(27(28,29)30)15-21(13-18)34-7-9-38-10-8-34/h2-6,11-15,26,36H,7-10H2,1H3,(H,31,35)(H,32,33).
What are the key properties of N-[3-[3-[hydroxy(methoxy)methyl]-2H-indazol-6-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide?
N-[3-[3-[hydroxy(methoxy)methyl]-2H-indazol-6-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide has a molecular weight of 526.52 g/mol, XLogP of 4.97, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-[hydroxy(methoxy)methyl]-2H-indazol-6-yl]phenyl]-3-morpholin-4-yl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 91496237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).