methyl 7-(2-morpholin-4-ylethoxy)-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxylate

C26H24F3N3O4 — CID 66604728

IUPACmethyl 7-(2-morpholin-4-ylethoxy)-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2c1[nH]c1cc(OCCN3CCOCC3)ccc12
InChIInChI=1S/C26H24F3N3O4/c1-34-25(33)20-15-21(16-3-2-4-17(13-16)26(27,28)29)30-23-19-6-5-18(14-22(19)31-24(20)23)36-12-9-32-7-10-35-11-8-32/h2-6,13-15,31H,7-12H2,1H3
InChIKeyMLLIHYPUWVZQJG-UHFFFAOYSA-N
MW499.49 g/mol
LogP4.90
Rot. Bonds6

About methyl 7-(2-morpholin-4-ylethoxy)-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxylate

methyl 7-(2-morpholin-4-ylethoxy)-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxylate (PubChem CID 66604728) has the molecular formula C26H24F3N3O4 and a molecular weight of 499.49 g/mol. Its IUPAC name is methyl 7-(2-morpholin-4-ylethoxy)-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 7-(2-morpholin-4-ylethoxy)-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxylate
PubChem CID66604728
Molecular FormulaC26H24F3N3O4
Molecular Weight499.49 g/mol
Exact Mass499.17
IUPAC Namemethyl 7-(2-morpholin-4-ylethoxy)-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2c1[nH]c1cc(OCCN3CCOCC3)ccc12
InChIInChI=1S/C26H24F3N3O4/c1-34-25(33)20-15-21(16-3-2-4-17(13-16)26(27,28)29)30-23-19-6-5-18(14-22(19)31-24(20)23)36-12-9-32-7-10-35-11-8-32/h2-6,13-15,31H,7-12H2,1H3
InChIKeyMLLIHYPUWVZQJG-UHFFFAOYSA-N
XLogP4.90
TPSA76.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.49
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 7-(2-morpholin-4-ylethoxy)-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-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

2-(4-chlorophenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604854
7-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66605206
methyl 7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxylate
CID 66604846
2-[3-fluoro-4-(2-morpholin-4-ylethoxy)phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604515
methyl 2-methyl-6-[4-[3-(2-morpholin-4-ylethoxy)phenyl]phenyl]-1H-benzimidazole-4-carboxylate
CID 142414768
methyl 2-(4-methoxyphenyl)-7-phenylmethoxy-5H-pyrido[3,2-b]indole-4-carboxylate
CID 66605654
[4-(2-morpholin-4-ylethoxy)phenyl]-[3-(trifluoromethyl)phenyl]methanone
CID 70473463
methyl 7-(4-methylpiperazin-1-yl)-3-[3-(trifluoromethyl)phenyl]-9H-carbazole-1-carboxylate
CID 66605172
methyl 4-[2-[4-(4-carbamoyl-7-morpholin-4-yl-5H-pyrido[3,2-b]indol-2-yl)-2-chlorophenoxy]ethyl]piperazine-1-carboxylate
CID 66614365
2-[3-chloro-4-[2-(1,4-oxazepan-4-yl)ethoxy]phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604492
2-(3-chlorophenyl)-7-(morpholin-4-ylmethyl)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604426
2-[3-chloro-4-[2-(1,1-dihydroxy-1,4-thiazinan-4-yl)ethoxy]phenyl]-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604896

Frequently Asked Questions

What is the IUPAC name of methyl 7-(2-morpholin-4-ylethoxy)-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxylate?
The IUPAC name of methyl 7-(2-morpholin-4-ylethoxy)-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxylate (CID 66604728) is methyl 7-(2-morpholin-4-ylethoxy)-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxylate.
What is the SMILES notation for methyl 7-(2-morpholin-4-ylethoxy)-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxylate?
The canonical SMILES for methyl 7-(2-morpholin-4-ylethoxy)-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxylate is COC(=O)c1cc(-c2cccc(C(F)(F)F)c2)nc2c1[nH]c1cc(OCCN3CCOCC3)ccc12.
What is the InChIKey of methyl 7-(2-morpholin-4-ylethoxy)-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxylate?
The InChIKey is MLLIHYPUWVZQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N3O4/c1-34-25(33)20-15-21(16-3-2-4-17(13-16)26(27,28)29)30-23-19-6-5-18(14-22(19)31-24(20)23)36-12-9-32-7-10-35-11-8-32/h2-6,13-15,31H,7-12H2,1H3.
What are the key properties of methyl 7-(2-morpholin-4-ylethoxy)-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxylate?
methyl 7-(2-morpholin-4-ylethoxy)-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxylate has a molecular weight of 499.49 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-(2-morpholin-4-ylethoxy)-2-[3-(trifluoromethyl)phenyl]-5H-pyrido[3,2-b]indole-4-carboxylate is sourced from PubChem (CID 66604728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).