4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid

C86H84BrClF3N21O10S — CID 158330653

IUPAC4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid
SMILESCCOc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ccnc(N)c34)[nH]c12.COc1ccc(Br)c2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(Cl)c4[nH]3)c12.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(C(F)(F)F)c4s3)c12
InChIInChI=1S/C23H25N5O3.C21H21BrN6O3.C21H20ClN5O2.C21H18F3N5O2S/c1-2-31-17-5-3-4-15-12-16(26-18(15)17)19-20-21(24)25-10-11-28(20)22(27-19)13-6-8-14(9-7-13)23(29)30;1-31-15-7-6-13(22)12-8-14(26-16(12)15)17-18-19(23)24-9-25-28(18)20(27-17)10-2-4-11(5-3-10)21(29)30;22-14-3-1-2-13-10-15(25-16(13)14)17-18-19(23)24-8-9-27(18)20(26-17)11-4-6-12(7-5-11)21(28)29;22-21(23,24)13-3-1-2-12-8-14(32-17(12)13)15-16-18(25)26-9-27-29(16)19(28-15)10-4-6-11(7-5-10)20(30)31/h3-5,10-14,26H,2,6-9H2,1H3,(H2,24,25)(H,29,30);6-11,26H,2-5H2,1H3,(H,29,30)(H2,23,24,25);1-3,8-12,25H,4-7H2,(H2,23,24)(H,28,29);1-3,8-11H,4-7H2,(H,30,31)(H2,25,26,27)
InChIKeyGPYSOLZCNHAABS-UHFFFAOYSA-N
MW1776.17 g/mol
LogP17.64
Rot. Bonds15

About 4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid

4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid (PubChem CID 158330653) has the molecular formula C86H84BrClF3N21O10S and a molecular weight of 1776.17 g/mol. Its IUPAC name is 4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid
PubChem CID158330653
Molecular FormulaC86H84BrClF3N21O10S
Molecular Weight1776.17 g/mol
Exact Mass1773.53
IUPAC Name4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid
SMILESCCOc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ccnc(N)c34)[nH]c12.COc1ccc(Br)c2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(Cl)c4[nH]3)c12.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(C(F)(F)F)c4s3)c12
InChIInChI=1S/C23H25N5O3.C21H21BrN6O3.C21H20ClN5O2.C21H18F3N5O2S/c1-2-31-17-5-3-4-15-12-16(26-18(15)17)19-20-21(24)25-10-11-28(20)22(27-19)13-6-8-14(9-7-13)23(29)30;1-31-15-7-6-13(22)12-8-14(26-16(12)15)17-18-19(23)24-9-25-28(18)20(27-17)10-2-4-11(5-3-10)21(29)30;22-14-3-1-2-13-10-15(25-16(13)14)17-18-19(23)24-8-9-27(18)20(26-17)11-4-6-12(7-5-11)21(28)29;22-21(23,24)13-3-1-2-12-8-14(32-17(12)13)15-16-18(25)26-9-27-29(16)19(28-15)10-4-6-11(7-5-10)20(30)31/h3-5,10-14,26H,2,6-9H2,1H3,(H2,24,25)(H,29,30);6-11,26H,2-5H2,1H3,(H,29,30)(H2,23,24,25);1-3,8-12,25H,4-7H2,(H2,23,24)(H,28,29);1-3,8-11H,4-7H2,(H,30,31)(H2,25,26,27)
InChIKeyGPYSOLZCNHAABS-UHFFFAOYSA-N
XLogP17.64
TPSA465.65 Ų
H-Bond Donors11
H-Bond Acceptors25
Rotatable Bonds15
Heavy Atoms123
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001776.17
LogP ≤ 517.64
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1025

Analyze 4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid 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

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid (CID 158330653) is 4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid is CCOc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ccnc(N)c34)[nH]c12.COc1ccc(Br)c2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ncnc(N)c34)[nH]c12.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(Cl)c4[nH]3)c12.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(C(F)(F)F)c4s3)c12.
What is the InChIKey of 4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid?
The InChIKey is GPYSOLZCNHAABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3.C21H21BrN6O3.C21H20ClN5O2.C21H18F3N5O2S/c1-2-31-17-5-3-4-15-12-16(26-18(15)17)19-20-21(24)25-10-11-28(20)22(27-19)13-6-8-14(9-7-13)23(29)30;1-31-15-7-6-13(22)12-8-14(26-16(12)15)17-18-19(23)24-9-25-28(18)20(27-17)10-2-4-11(5-3-10)21(29)30;22-14-3-1-2-13-10-15(25-16(13)14)17-18-19(23)24-8-9-27(18)20(26-17)11-4-6-12(7-5-11)21(28)29;22-21(23,24)13-3-1-2-12-8-14(32-17(12)13)15-16-18(25)26-9-27-29(16)19(28-15)10-4-6-11(7-5-10)20(30)31/h3-5,10-14,26H,2,6-9H2,1H3,(H2,24,25)(H,29,30);6-11,26H,2-5H2,1H3,(H,29,30)(H2,23,24,25);1-3,8-12,25H,4-7H2,(H2,23,24)(H,28,29);1-3,8-11H,4-7H2,(H,30,31)(H2,25,26,27).
What are the key properties of 4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid?
4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid has a molecular weight of 1776.17 g/mol, XLogP of 17.64, 15 rotatable bonds, 11 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-5-(4-bromo-7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 158330653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).