4-methyl-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide

C32H27F3N4O2 — CID 155523715

IUPAC4-methyl-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3ccc(N4CCOCC4)cc3)n[nH]c2c1
InChIInChI=1S/C32H27F3N4O2/c1-20-5-6-23(31(40)36-25-4-2-3-24(19-25)32(33,34)35)17-28(20)22-9-12-27-29(18-22)37-38-30(27)21-7-10-26(11-8-21)39-13-15-41-16-14-39/h2-12,17-19H,13-16H2,1H3,(H,36,40)(H,37,38)
InChIKeyAIYFNBQHQLKULH-UHFFFAOYSA-N
MW556.59 g/mol
LogP7.31
Rot. Bonds5

About 4-methyl-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide

4-methyl-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 155523715) has the molecular formula C32H27F3N4O2 and a molecular weight of 556.59 g/mol. Its IUPAC name is 4-methyl-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID155523715
Molecular FormulaC32H27F3N4O2
Molecular Weight556.59 g/mol
Exact Mass556.21
IUPAC Name4-methyl-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3ccc(N4CCOCC4)cc3)n[nH]c2c1
InChIInChI=1S/C32H27F3N4O2/c1-20-5-6-23(31(40)36-25-4-2-3-24(19-25)32(33,34)35)17-28(20)22-9-12-27-29(18-22)37-38-30(27)21-7-10-26(11-8-21)39-13-15-41-16-14-39/h2-12,17-19H,13-16H2,1H3,(H,36,40)(H,37,38)
InChIKeyAIYFNBQHQLKULH-UHFFFAOYSA-N
XLogP7.31
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.59
LogP ≤ 57.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2,3-bis(fluoranyl)phenyl]-~{N}-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1~{H}-indazole-3-carboxamide
CID 71680628
3-[5-(Morpholin-4-ylmethyl)-1h-indol-2-yl]-1h-indazole-6-carboxamide
CID 135559056
3-(Indol-2-yl)indazole 10
CID 135559058
(2'S,3R)-2'-[3-[(E)-2-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486129
rel-(1R,2S)-2-(3-((1E)-2-(4-(4-Morpholinylmethyl)phenyl)ethenyl)-1H-indazol-6-yl)spiro(cyclopropane-1,3'-(3H)indol)-2'(1'H)-one
CID 58486169
N-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(3-(methylamino)-1H-indazol-6-yl)benzamide
CID 70682038
3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide
CID 70690444
3-(3-amino-1H-indazol-6-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 70690446
4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-1H-indazol-5-yl]-benzamide
CID 9950390
N-[3-(1H-indazol-6-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 50997019
3-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 53373589
(2'S,3R)-2'-[3-[(E)-2-[3-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 56959838

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-methyl-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 155523715) is 4-methyl-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-methyl-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3ccc(N4CCOCC4)cc3)n[nH]c2c1.
What is the InChIKey of 4-methyl-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is AIYFNBQHQLKULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27F3N4O2/c1-20-5-6-23(31(40)36-25-4-2-3-24(19-25)32(33,34)35)17-28(20)22-9-12-27-29(18-22)37-38-30(27)21-7-10-26(11-8-21)39-13-15-41-16-14-39/h2-12,17-19H,13-16H2,1H3,(H,36,40)(H,37,38).
What are the key properties of 4-methyl-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
4-methyl-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 556.59 g/mol, XLogP of 7.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[3-(4-morpholin-4-ylphenyl)-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 155523715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).