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

C91H78ClF3N22O9 — CID 159809769

IUPAC3-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;4-[8-amino-1-(7-cyano-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
SMILESN#Cc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ccnc(N)c34)[nH]c12.Nc1nccn2c(-c3cccc(C(=O)O)c3)nc(-c3cc4cccc(Cl)c4[nH]3)c12.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(C(F)(F)F)c4[nH]3)c12.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5ccc(O)cc5)c4[nH]3)c12
InChIInChI=1S/C26H24N6O3.C22H20F3N5O2.C22H20N6O2.C21H14ClN5O2/c27-24-23-22(31-25(32(23)29-13-28-24)15-4-6-16(7-5-15)26(34)35)20-12-17-2-1-3-19(21(17)30-20)14-8-10-18(33)11-9-14;23-22(24,25)14-3-1-2-13-10-15(28-16(13)14)17-18-19(26)27-8-9-30(18)20(29-17)11-4-6-12(7-5-11)21(31)32;23-11-15-3-1-2-14-10-16(26-17(14)15)18-19-20(24)25-8-9-28(19)21(27-18)12-4-6-13(7-5-12)22(29)30;22-14-6-2-3-11-10-15(25-16(11)14)17-18-19(23)24-7-8-27(18)20(26-17)12-4-1-5-13(9-12)21(28)29/h1-3,8-13,15-16,30,33H,4-7H2,(H,34,35)(H2,27,28,29);1-3,8-12,28H,4-7H2,(H2,26,27)(H,31,32);1-3,8-10,12-13,26H,4-7H2,(H2,24,25)(H,29,30);1-10,25H,(H2,23,24)(H,28,29)
InChIKeyNKWJGOLQEQEWJP-UHFFFAOYSA-N
MW1716.22 g/mol
LogP17.59
Rot. Bonds13

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

3-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;4-[8-amino-1-(7-cyano-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid (PubChem CID 159809769) has the molecular formula C91H78ClF3N22O9 and a molecular weight of 1716.22 g/mol. Its IUPAC name is 3-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;4-[8-amino-1-(7-cyano-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;4-[8-amino-1-(7-cyano-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
PubChem CID159809769
Molecular FormulaC91H78ClF3N22O9
Molecular Weight1716.22 g/mol
Exact Mass1714.60
IUPAC Name3-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;4-[8-amino-1-(7-cyano-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
SMILESN#Cc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ccnc(N)c34)[nH]c12.Nc1nccn2c(-c3cccc(C(=O)O)c3)nc(-c3cc4cccc(Cl)c4[nH]3)c12.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(C(F)(F)F)c4[nH]3)c12.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5ccc(O)cc5)c4[nH]3)c12
InChIInChI=1S/C26H24N6O3.C22H20F3N5O2.C22H20N6O2.C21H14ClN5O2/c27-24-23-22(31-25(32(23)29-13-28-24)15-4-6-16(7-5-15)26(34)35)20-12-17-2-1-3-19(21(17)30-20)14-8-10-18(33)11-9-14;23-22(24,25)14-3-1-2-13-10-15(28-16(13)14)17-18-19(26)27-8-9-30(18)20(29-17)11-4-6-12(7-5-11)21(31)32;23-11-15-3-1-2-14-10-16(26-17(14)15)18-19-20(24)25-8-9-28(19)21(27-18)12-4-6-13(7-5-12)22(29)30;22-14-6-2-3-11-10-15(25-16(11)14)17-18-19(23)24-7-8-27(18)20(26-17)12-4-1-5-13(9-12)21(28)29/h1-3,8-13,15-16,30,33H,4-7H2,(H,34,35)(H2,27,28,29);1-3,8-12,28H,4-7H2,(H2,26,27)(H,31,32);1-3,8-10,12-13,26H,4-7H2,(H2,24,25)(H,29,30);1-10,25H,(H2,23,24)(H,28,29)
InChIKeyNKWJGOLQEQEWJP-UHFFFAOYSA-N
XLogP17.59
TPSA494.11 Ų
H-Bond Donors13
H-Bond Acceptors23
Rotatable Bonds13
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001716.22
LogP ≤ 517.59
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1023

Analyze 3-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;4-[8-amino-1-(7-cyano-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

3-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methyl 4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
CID 160000148
3-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;4-[8-amino-1-(7-cyano-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
CID 160068610
4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methyl 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
CID 157101708
4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol;4-[4-amino-5-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;formaldehyde
CID 157357302
3-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutane-1-carboxylic acid;4-[4-amino-5-(7-cyano-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-cyclopropyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-(7-phenyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid
CID 157639927
4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane
CID 158473686

Frequently Asked Questions

What is the IUPAC name of 3-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;4-[8-amino-1-(7-cyano-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;4-[8-amino-1-(7-cyano-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid (CID 159809769) is 3-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;4-[8-amino-1-(7-cyano-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;4-[8-amino-1-(7-cyano-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;4-[8-amino-1-(7-cyano-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid is N#Cc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ccnc(N)c34)[nH]c12.Nc1nccn2c(-c3cccc(C(=O)O)c3)nc(-c3cc4cccc(Cl)c4[nH]3)c12.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(C(F)(F)F)c4[nH]3)c12.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5ccc(O)cc5)c4[nH]3)c12.
What is the InChIKey of 3-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;4-[8-amino-1-(7-cyano-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid?
The InChIKey is NKWJGOLQEQEWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3.C22H20F3N5O2.C22H20N6O2.C21H14ClN5O2/c27-24-23-22(31-25(32(23)29-13-28-24)15-4-6-16(7-5-15)26(34)35)20-12-17-2-1-3-19(21(17)30-20)14-8-10-18(33)11-9-14;23-22(24,25)14-3-1-2-13-10-15(28-16(13)14)17-18-19(26)27-8-9-30(18)20(29-17)11-4-6-12(7-5-11)21(31)32;23-11-15-3-1-2-14-10-16(26-17(14)15)18-19-20(24)25-8-9-28(19)21(27-18)12-4-6-13(7-5-12)22(29)30;22-14-6-2-3-11-10-15(25-16(11)14)17-18-19(23)24-7-8-27(18)20(26-17)12-4-1-5-13(9-12)21(28)29/h1-3,8-13,15-16,30,33H,4-7H2,(H,34,35)(H2,27,28,29);1-3,8-12,28H,4-7H2,(H2,26,27)(H,31,32);1-3,8-10,12-13,26H,4-7H2,(H2,24,25)(H,29,30);1-10,25H,(H2,23,24)(H,28,29).
What are the key properties of 3-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;4-[8-amino-1-(7-cyano-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid?
3-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;4-[8-amino-1-(7-cyano-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid has a molecular weight of 1716.22 g/mol, XLogP of 17.59, 13 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]benzoic acid;4-[8-amino-1-(7-cyano-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-hydroxyphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 159809769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).