4-[4-amino-5-(7-bromo-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;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-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide

C101H97BrCl2FN27O5S — CID 159381370

About 4-[4-amino-5-(7-bromo-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;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-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide

4-[4-amino-5-(7-bromo-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;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-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide (PubChem CID 159381370) has the molecular formula C101H97BrCl2FN27O5S and a molecular weight of 1970.95 g/mol. Its IUPAC name is 4-[4-amino-5-(7-bromo-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;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-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: 4-[4-amino-5-(7-bromo-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;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-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide
• PubChem CID: 159381370
• Molecular Formula: C101H97BrCl2FN27O5S
• Molecular Weight: 1970.95 g/mol
• Exact Mass: 1967.64
• IUPAC Name: 4-[4-amino-5-(7-bromo-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;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-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide
• SMILES: Cc1ccc(NC(=O)C2CCC(c3nc(-c4cc5cccc(Cl)c5[nH]4)c4c(N)ncnn34)CC2)cn1.Cc1ccc(NC(=O)C2CCC(c3nc(-c4cc5cccc(Cl)c5s4)c4c(N)nccn34)CC2)cn1.Cc1ccc(NC(=O)C2CCC(c3nc(-c4ccc5ccn(C)c5c4F)c4c(N)nccn34)CC2)cn1.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(Br)c4[nH]3)c12
• InChI: InChI=1S/C28H28FN7O.C27H25ClN6OS.C26H25ClN8O.C20H19BrN6O2/c1-16-3-9-20(15-32-16)33-28(37)19-6-4-18(5-7-19)27-34-23(25-26(30)31-12-14-36(25)27)21-10-8-17-11-13-35(2)24(17)22(21)29;1-15-5-10-19(14-31-15)32-27(35)17-8-6-16(7-9-17)26-33-22(23-25(29)30-11-12-34(23)26)21-13-18-3-2-4-20(28)24(18)36-21;1-14-5-10-18(12-29-14)32-26(36)16-8-6-15(7-9-16)25-34-22(23-24(28)30-13-31-35(23)25)20-11-17-3-2-4-19(27)21(17)33-20;21-13-3-1-2-12-8-14(25-15(12)13)16-17-18(22)23-9-24-27(17)19(26-16)10-4-6-11(7-5-10)20(28)29/h3,8-15,18-19H,4-7H2,1-2H3,(H2,30,31)(H,33,37);2-5,10-14,16-17H,6-9H2,1H3,(H2,29,30)(H,32,35);2-5,10-13,15-16,33H,6-9H2,1H3,(H,32,36)(H2,28,30,31);1-3,8-11,25H,4-7H2,(H,28,29)(H2,22,23,24)
• InChIKey: LKYJICVLZISUSI-UHFFFAOYSA-N
• XLogP: 20.79
• TPSA: 450.40 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 15
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1970.95
LogP ≤ 5	20.79
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-5-(7-bromo-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;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-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide?

The IUPAC name of 4-[4-amino-5-(7-bromo-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;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-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide (CID 159381370) is 4-[4-amino-5-(7-bromo-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;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-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide.

What is the SMILES notation for 4-[4-amino-5-(7-bromo-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;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-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide?

The canonical SMILES for 4-[4-amino-5-(7-bromo-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;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-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide is Cc1ccc(NC(=O)C2CCC(c3nc(-c4cc5cccc(Cl)c5[nH]4)c4c(N)ncnn34)CC2)cn1.Cc1ccc(NC(=O)C2CCC(c3nc(-c4cc5cccc(Cl)c5s4)c4c(N)nccn34)CC2)cn1.Cc1ccc(NC(=O)C2CCC(c3nc(-c4ccc5ccn(C)c5c4F)c4c(N)nccn34)CC2)cn1.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(Br)c4[nH]3)c12.

What is the InChIKey of 4-[4-amino-5-(7-bromo-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;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-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide?

The InChIKey is LKYJICVLZISUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN7O.C27H25ClN6OS.C26H25ClN8O.C20H19BrN6O2/c1-16-3-9-20(15-32-16)33-28(37)19-6-4-18(5-7-19)27-34-23(25-26(30)31-12-14-36(25)27)21-10-8-17-11-13-35(2)24(17)22(21)29;1-15-5-10-19(14-31-15)32-27(35)17-8-6-16(7-9-17)26-33-22(23-25(29)30-11-12-34(23)26)21-13-18-3-2-4-20(28)24(18)36-21;1-14-5-10-18(12-29-14)32-26(36)16-8-6-15(7-9-16)25-34-22(23-24(28)30-13-31-35(23)25)20-11-17-3-2-4-19(27)21(17)33-20;21-13-3-1-2-12-8-14(25-15(12)13)16-17-18(22)23-9-24-27(17)19(26-16)10-4-6-11(7-5-10)20(28)29/h3,8-15,18-19H,4-7H2,1-2H3,(H2,30,31)(H,33,37);2-5,10-14,16-17H,6-9H2,1H3,(H2,29,30)(H,32,35);2-5,10-13,15-16,33H,6-9H2,1H3,(H,32,36)(H2,28,30,31);1-3,8-11,25H,4-7H2,(H,28,29)(H2,22,23,24).

What are the key properties of 4-[4-amino-5-(7-bromo-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;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-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide?

4-[4-amino-5-(7-bromo-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;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-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide has a molecular weight of 1970.95 g/mol, XLogP of 20.79, 15 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-amino-5-(7-bromo-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;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-[8-amino-1-(7-fluoro-1-methylindol-6-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 159381370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).