methyl 7-(4-methylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]-9H-carbazole-1-carboxylate

C26H24F3N3O2 — CID 66605172

IUPACmethyl 7-(4-methylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]-9H-carbazole-1-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(C(F)(F)F)c2)cc2c1[nH]c1cc(N3CCN(C)CC3)ccc12
InChIInChI=1S/C26H24F3N3O2/c1-31-8-10-32(11-9-31)19-6-7-20-21-13-17(16-4-3-5-18(12-16)26(27,28)29)14-22(25(33)34-2)24(21)30-23(20)15-19/h3-7,12-15,30H,8-11H2,1-2H3
InChIKeyHPDCZTZBAWEGRV-UHFFFAOYSA-N
MW467.49 g/mol
LogP5.55
Rot. Bonds3

About methyl 7-(4-methylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]-9H-carbazole-1-carboxylate

methyl 7-(4-methylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]-9H-carbazole-1-carboxylate (PubChem CID 66605172) has the molecular formula C26H24F3N3O2 and a molecular weight of 467.49 g/mol. Its IUPAC name is methyl 7-(4-methylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]-9H-carbazole-1-carboxylate.

Molecular Properties

Compound Namemethyl 7-(4-methylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]-9H-carbazole-1-carboxylate
PubChem CID66605172
Molecular FormulaC26H24F3N3O2
Molecular Weight467.49 g/mol
Exact Mass467.18
IUPAC Namemethyl 7-(4-methylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]-9H-carbazole-1-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(C(F)(F)F)c2)cc2c1[nH]c1cc(N3CCN(C)CC3)ccc12
InChIInChI=1S/C26H24F3N3O2/c1-31-8-10-32(11-9-31)19-6-7-20-21-13-17(16-4-3-5-18(12-16)26(27,28)29)14-22(25(33)34-2)24(21)30-23(20)15-19/h3-7,12-15,30H,8-11H2,1-2H3
InChIKeyHPDCZTZBAWEGRV-UHFFFAOYSA-N
XLogP5.55
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.49
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 7-(4-methylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]-9H-carbazole-1-carboxylate 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

methyl 7-(2-morpholin-4-ylethoxy)-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxylate
CID 66604728
methyl 2-fluoro-5-[3-(trifluoromethyl)phenyl]benzoate
CID 75488127
7-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66605206
3-[3-chloro-4-(2-morpholin-4-ylethoxy)phenyl]-7-(4-methylpiperazin-1-yl)-9H-carbazole-1-carboxamide
CID 66604336
methyl 2-azido-3-[4-(4-methylpiperidin-1-yl)phenyl]-5-[3-(trifluoromethyl)phenyl]benzoate
CID 86663066
2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-5-[3-(trifluoromethyl)phenyl]furan-3-carboxamide
CID 4898733
methyl 2-methoxy-5-(4-methylpiperazin-1-yl)benzoate
CID 176816359
methyl 2-methoxy-4-(4-methylpiperazin-1-yl)benzoate
CID 66996253
methyl 2-[3-(trifluoromethyl)phenyl]benzoate
CID 1393351
methyl 2-chloro-4-(4-methylpiperazin-1-yl)benzoate
CID 122129607
methyl 5-methyl-2-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate
CID 22199163
methyl 4-[3-(trifluoromethyl)phenyl]benzoate
CID 1393419

Frequently Asked Questions

What is the IUPAC name of methyl 7-(4-methylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]-9H-carbazole-1-carboxylate?
The IUPAC name of methyl 7-(4-methylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]-9H-carbazole-1-carboxylate (CID 66605172) is methyl 7-(4-methylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]-9H-carbazole-1-carboxylate.
What is the SMILES notation for methyl 7-(4-methylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]-9H-carbazole-1-carboxylate?
The canonical SMILES for methyl 7-(4-methylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]-9H-carbazole-1-carboxylate is COC(=O)c1cc(-c2cccc(C(F)(F)F)c2)cc2c1[nH]c1cc(N3CCN(C)CC3)ccc12.
What is the InChIKey of methyl 7-(4-methylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]-9H-carbazole-1-carboxylate?
The InChIKey is HPDCZTZBAWEGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O2/c1-31-8-10-32(11-9-31)19-6-7-20-21-13-17(16-4-3-5-18(12-16)26(27,28)29)14-22(25(33)34-2)24(21)30-23(20)15-19/h3-7,12-15,30H,8-11H2,1-2H3.
What are the key properties of methyl 7-(4-methylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]-9H-carbazole-1-carboxylate?
methyl 7-(4-methylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]-9H-carbazole-1-carboxylate has a molecular weight of 467.49 g/mol, XLogP of 5.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(4-methylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]-9H-carbazole-1-carboxylate is sourced from PubChem (CID 66605172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).