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

C34H32F3N5O — CID 155532218

IUPAC4-methyl-3-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3ccc(CN4CCN(C)CC4)cc3)n[nH]c2c1
InChIInChI=1S/C34H32F3N5O/c1-22-6-9-26(33(43)38-28-5-3-4-27(20-28)34(35,36)37)18-30(22)25-12-13-29-31(19-25)39-40-32(29)24-10-7-23(8-11-24)21-42-16-14-41(2)15-17-42/h3-13,18-20H,14-17,21H2,1-2H3,(H,38,43)(H,39,40)
InChIKeyMKXRCUBYHISAAL-UHFFFAOYSA-N
MW583.66 g/mol
LogP7.22
Rot. Bonds6

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

4-methyl-3-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 155532218) has the molecular formula C34H32F3N5O and a molecular weight of 583.66 g/mol. Its IUPAC name is 4-methyl-3-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID155532218
Molecular FormulaC34H32F3N5O
Molecular Weight583.66 g/mol
Exact Mass583.26
IUPAC Name4-methyl-3-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3ccc(CN4CCN(C)CC4)cc3)n[nH]c2c1
InChIInChI=1S/C34H32F3N5O/c1-22-6-9-26(33(43)38-28-5-3-4-27(20-28)34(35,36)37)18-30(22)25-12-13-29-31(19-25)39-40-32(29)24-10-7-23(8-11-24)21-42-16-14-41(2)15-17-42/h3-13,18-20H,14-17,21H2,1-2H3,(H,38,43)(H,39,40)
InChIKeyMKXRCUBYHISAAL-UHFFFAOYSA-N
XLogP7.22
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500583.66
LogP ≤ 57.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-aminophenyl)-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 69043668
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CID 90410070
4-fluoro-N-[3-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]phenyl]benzamide
CID 44524357
4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-quinazolin-6-ylbenzamide
CID 11606053
ethyl 6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenyl]-1H-indazole-3-carboxylate
CID 46235932
N-[3-(2-aminoquinazolin-6-yl)-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 11606245
4-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-N-[4-methyl-3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 141493476
3-(6-ethoxy-5-morpholin-4-yl-3-pyridinyl)-4-methyl-N-[3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]benzamide
CID 118889428
3-[2-(4-fluoroanilino)quinazolin-6-yl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 176903602
N-[3-[[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;2,2,2-trifluoroacetic acid
CID 44536868
1-chloro-4-oxo-N-[3-(trifluoromethyl)phenyl]-3H-phthalazine-6-carboxamide
CID 59743095
3-chloro-N-[3-[4-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]phenyl]benzamide;2,2,2-trifluoroacetic acid
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-methyl-3-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 155532218) is 4-methyl-3-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-methyl-3-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3ccc(CN4CCN(C)CC4)cc3)n[nH]c2c1.
What is the InChIKey of 4-methyl-3-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is MKXRCUBYHISAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F3N5O/c1-22-6-9-26(33(43)38-28-5-3-4-27(20-28)34(35,36)37)18-30(22)25-12-13-29-31(19-25)39-40-32(29)24-10-7-23(8-11-24)21-42-16-14-41(2)15-17-42/h3-13,18-20H,14-17,21H2,1-2H3,(H,38,43)(H,39,40).
What are the key properties of 4-methyl-3-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
4-methyl-3-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 583.66 g/mol, XLogP of 7.22, 6 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-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 155532218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).