N-[[4-[4-amino-5-(7-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbonitrile;3-cyclobutyl-1-(7-methoxy-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;N-[[4-[2,4-diamino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide

C88H97N25O6 — CID 158787647

IUPACN-[[4-[4-amino-5-(7-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbonitrile;3-cyclobutyl-1-(7-methoxy-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;N-[[4-[2,4-diamino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide
SMILESCC(=O)NCC1CCC(c2nc(-c3cc4cccc(C)c4[nH]3)c3c(N)nc(N)nn23)CC1.CCOc1cccc2cc(-c3nc(C4CCC(CNC(C)=O)CC4)n4ncnc(N)c34)[nH]c12.COc1cccc2cc(-c3nc(C4CCC(C#N)CC4)n4ccnc(N)c34)[nH]c12.COc1cccc2cc(-c3nc(C4CCC4)n4ccnc(N)c34)oc12
InChIInChI=1S/C24H29N7O2.C23H28N8O.C22H22N6O.C19H18N4O2/c1-3-33-19-6-4-5-17-11-18(29-20(17)19)21-22-23(25)27-13-28-31(22)24(30-21)16-9-7-15(8-10-16)12-26-14(2)32;1-12-4-3-5-16-10-17(27-18(12)16)19-20-21(24)29-23(25)30-31(20)22(28-19)15-8-6-14(7-9-15)11-26-13(2)32;1-29-17-4-2-3-15-11-16(26-18(15)17)19-20-21(24)25-9-10-28(20)22(27-19)14-7-5-13(12-23)6-8-14;1-24-13-7-3-6-12-10-14(25-17(12)13)15-16-18(20)21-8-9-23(16)19(22-15)11-4-2-5-11/h4-6,11,13,15-16,29H,3,7-10,12H2,1-2H3,(H,26,32)(H2,25,27,28);3-5,10,14-15,27H,6-9,11H2,1-2H3,(H,26,32)(H4,24,25,29,30);2-4,9-11,13-14,26H,5-8H2,1H3,(H2,24,25);3,6-11H,2,4-5H2,1H3,(H2,20,21)
InChIKeyIRWQPYXNEMSIEL-UHFFFAOYSA-N
MW1600.91 g/mol
LogP15.09
Rot. Bonds16

About N-[[4-[4-amino-5-(7-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbonitrile;3-cyclobutyl-1-(7-methoxy-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;N-[[4-[2,4-diamino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide

N-[[4-[4-amino-5-(7-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbonitrile;3-cyclobutyl-1-(7-methoxy-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;N-[[4-[2,4-diamino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide (PubChem CID 158787647) has the molecular formula C88H97N25O6 and a molecular weight of 1600.91 g/mol. Its IUPAC name is N-[[4-[4-amino-5-(7-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbonitrile;3-cyclobutyl-1-(7-methoxy-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;N-[[4-[2,4-diamino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[4-amino-5-(7-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbonitrile;3-cyclobutyl-1-(7-methoxy-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;N-[[4-[2,4-diamino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide
PubChem CID158787647
Molecular FormulaC88H97N25O6
Molecular Weight1600.91 g/mol
Exact Mass1599.81
IUPAC NameN-[[4-[4-amino-5-(7-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbonitrile;3-cyclobutyl-1-(7-methoxy-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;N-[[4-[2,4-diamino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide
SMILESCC(=O)NCC1CCC(c2nc(-c3cc4cccc(C)c4[nH]3)c3c(N)nc(N)nn23)CC1.CCOc1cccc2cc(-c3nc(C4CCC(CNC(C)=O)CC4)n4ncnc(N)c34)[nH]c12.COc1cccc2cc(-c3nc(C4CCC(C#N)CC4)n4ccnc(N)c34)[nH]c12.COc1cccc2cc(-c3nc(C4CCC4)n4ccnc(N)c34)oc12
InChIInChI=1S/C24H29N7O2.C23H28N8O.C22H22N6O.C19H18N4O2/c1-3-33-19-6-4-5-17-11-18(29-20(17)19)21-22-23(25)27-13-28-31(22)24(30-21)16-9-7-15(8-10-16)12-26-14(2)32;1-12-4-3-5-16-10-17(27-18(12)16)19-20-21(24)29-23(25)30-31(20)22(28-19)15-8-6-14(7-9-15)11-26-13(2)32;1-29-17-4-2-3-15-11-16(26-18(15)17)19-20-21(24)25-9-10-28(20)22(27-19)14-7-5-13(12-23)6-8-14;1-24-13-7-3-6-12-10-14(25-17(12)13)15-16-18(20)21-8-9-23(16)19(22-15)11-4-2-5-11/h4-6,11,13,15-16,29H,3,7-10,12H2,1-2H3,(H,26,32)(H2,25,27,28);3-5,10,14-15,27H,6-9,11H2,1-2H3,(H,26,32)(H4,24,25,29,30);2-4,9-11,13-14,26H,5-8H2,1H3,(H2,24,25);3,6-11H,2,4-5H2,1H3,(H2,20,21)
InChIKeyIRWQPYXNEMSIEL-UHFFFAOYSA-N
XLogP15.09
TPSA446.83 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms119
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001600.91
LogP ≤ 515.09
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Analyze N-[[4-[4-amino-5-(7-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbonitrile;3-cyclobutyl-1-(7-methoxy-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;N-[[4-[2,4-diamino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-amino-5-(7-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbonitrile;3-cyclobutyl-1-(7-methoxy-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;N-[[4-[2,4-diamino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide?
The IUPAC name of N-[[4-[4-amino-5-(7-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbonitrile;3-cyclobutyl-1-(7-methoxy-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;N-[[4-[2,4-diamino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide (CID 158787647) is N-[[4-[4-amino-5-(7-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbonitrile;3-cyclobutyl-1-(7-methoxy-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;N-[[4-[2,4-diamino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[4-amino-5-(7-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbonitrile;3-cyclobutyl-1-(7-methoxy-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;N-[[4-[2,4-diamino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide?
The canonical SMILES for N-[[4-[4-amino-5-(7-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbonitrile;3-cyclobutyl-1-(7-methoxy-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;N-[[4-[2,4-diamino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide is CC(=O)NCC1CCC(c2nc(-c3cc4cccc(C)c4[nH]3)c3c(N)nc(N)nn23)CC1.CCOc1cccc2cc(-c3nc(C4CCC(CNC(C)=O)CC4)n4ncnc(N)c34)[nH]c12.COc1cccc2cc(-c3nc(C4CCC(C#N)CC4)n4ccnc(N)c34)[nH]c12.COc1cccc2cc(-c3nc(C4CCC4)n4ccnc(N)c34)oc12.
What is the InChIKey of N-[[4-[4-amino-5-(7-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbonitrile;3-cyclobutyl-1-(7-methoxy-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;N-[[4-[2,4-diamino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide?
The InChIKey is IRWQPYXNEMSIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O2.C23H28N8O.C22H22N6O.C19H18N4O2/c1-3-33-19-6-4-5-17-11-18(29-20(17)19)21-22-23(25)27-13-28-31(22)24(30-21)16-9-7-15(8-10-16)12-26-14(2)32;1-12-4-3-5-16-10-17(27-18(12)16)19-20-21(24)29-23(25)30-31(20)22(28-19)15-8-6-14(7-9-15)11-26-13(2)32;1-29-17-4-2-3-15-11-16(26-18(15)17)19-20-21(24)25-9-10-28(20)22(27-19)14-7-5-13(12-23)6-8-14;1-24-13-7-3-6-12-10-14(25-17(12)13)15-16-18(20)21-8-9-23(16)19(22-15)11-4-2-5-11/h4-6,11,13,15-16,29H,3,7-10,12H2,1-2H3,(H,26,32)(H2,25,27,28);3-5,10,14-15,27H,6-9,11H2,1-2H3,(H,26,32)(H4,24,25,29,30);2-4,9-11,13-14,26H,5-8H2,1H3,(H2,24,25);3,6-11H,2,4-5H2,1H3,(H2,20,21).
What are the key properties of N-[[4-[4-amino-5-(7-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbonitrile;3-cyclobutyl-1-(7-methoxy-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;N-[[4-[2,4-diamino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide?
N-[[4-[4-amino-5-(7-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbonitrile;3-cyclobutyl-1-(7-methoxy-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;N-[[4-[2,4-diamino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide has a molecular weight of 1600.91 g/mol, XLogP of 15.09, 16 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-amino-5-(7-ethoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carbonitrile;3-cyclobutyl-1-(7-methoxy-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;N-[[4-[2,4-diamino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide is sourced from PubChem (CID 158787647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).