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

C34H30F3N5O2 — CID 155524432

IUPAC4-methyl-3-[3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3ccc(C(=O)N4CCN(C)CC4)cc3)n[nH]c2c1
InChIInChI=1S/C34H30F3N5O2/c1-21-6-7-25(32(43)38-27-5-3-4-26(20-27)34(35,36)37)18-29(21)24-12-13-28-30(19-24)39-40-31(28)22-8-10-23(11-9-22)33(44)42-16-14-41(2)15-17-42/h3-13,18-20H,14-17H2,1-2H3,(H,38,43)(H,39,40)
InChIKeyASVHVPBHDJQEMH-UHFFFAOYSA-N
MW597.64 g/mol
LogP6.86
Rot. Bonds5

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

4-methyl-3-[3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 155524432) has the molecular formula C34H30F3N5O2 and a molecular weight of 597.64 g/mol. Its IUPAC name is 4-methyl-3-[3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID155524432
Molecular FormulaC34H30F3N5O2
Molecular Weight597.64 g/mol
Exact Mass597.24
IUPAC Name4-methyl-3-[3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3ccc(C(=O)N4CCN(C)CC4)cc3)n[nH]c2c1
InChIInChI=1S/C34H30F3N5O2/c1-21-6-7-25(32(43)38-27-5-3-4-26(20-27)34(35,36)37)18-29(21)24-12-13-28-30(19-24)39-40-31(28)22-8-10-23(11-9-22)33(44)42-16-14-41(2)15-17-42/h3-13,18-20H,14-17H2,1-2H3,(H,38,43)(H,39,40)
InChIKeyASVHVPBHDJQEMH-UHFFFAOYSA-N
XLogP6.86
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500597.64
LogP ≤ 56.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-methyl-3-[3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 155524432) is 4-methyl-3-[3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-[3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-methyl-3-[3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3ccc(C(=O)N4CCN(C)CC4)cc3)n[nH]c2c1.
What is the InChIKey of 4-methyl-3-[3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is ASVHVPBHDJQEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30F3N5O2/c1-21-6-7-25(32(43)38-27-5-3-4-26(20-27)34(35,36)37)18-29(21)24-12-13-28-30(19-24)39-40-31(28)22-8-10-23(11-9-22)33(44)42-16-14-41(2)15-17-42/h3-13,18-20H,14-17H2,1-2H3,(H,38,43)(H,39,40).
What are the key properties of 4-methyl-3-[3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide?
4-methyl-3-[3-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 597.64 g/mol, XLogP of 6.86, 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-(4-methylpiperazine-1-carbonyl)phenyl]-1H-indazol-6-yl]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 155524432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).