4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide

C71H73FN20O5 — CID 158340922

IUPAC4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide
SMILESCN(C)C(=O)N1CC=C(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.COc1cccc2cc(-c3nc(C4CCC(C(=O)N(C)C)CC4)n4ncnc(N)c34)[nH]c12.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5cccc(F)c5)c4[nH]3)c12
InChIInChI=1S/C26H23FN6O2.C23H27N7O2.C22H23N7O/c27-18-5-1-3-16(11-18)19-6-2-4-17-12-20(31-21(17)19)22-23-24(28)29-13-30-33(23)25(32-22)14-7-9-15(10-8-14)26(34)35;1-29(2)23(31)14-9-7-13(8-10-14)22-28-19(20-21(24)25-12-26-30(20)22)16-11-15-5-4-6-17(32-3)18(15)27-16;1-27(2)22(30)28-10-7-14(8-11-28)21-26-18(19-20(23)24-9-12-29(19)21)17-13-15-5-3-4-6-16(15)25-17/h1-6,11-15,31H,7-10H2,(H,34,35)(H2,28,29,30);4-6,11-14,27H,7-10H2,1-3H3,(H2,24,25,26);3-7,9,12-13,25H,8,10-11H2,1-2H3,(H2,23,24)
InChIKeyGRDNBACRDFEQIT-UHFFFAOYSA-N
MW1305.50 g/mol
LogP11.48
Rot. Bonds10

About 4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide

4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide (PubChem CID 158340922) has the molecular formula C71H73FN20O5 and a molecular weight of 1305.50 g/mol. Its IUPAC name is 4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide
PubChem CID158340922
Molecular FormulaC71H73FN20O5
Molecular Weight1305.50 g/mol
Exact Mass1304.61
IUPAC Name4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide
SMILESCN(C)C(=O)N1CC=C(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.COc1cccc2cc(-c3nc(C4CCC(C(=O)N(C)C)CC4)n4ncnc(N)c34)[nH]c12.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5cccc(F)c5)c4[nH]3)c12
InChIInChI=1S/C26H23FN6O2.C23H27N7O2.C22H23N7O/c27-18-5-1-3-16(11-18)19-6-2-4-17-12-20(31-21(17)19)22-23-24(28)29-13-30-33(23)25(32-22)14-7-9-15(10-8-14)26(34)35;1-29(2)23(31)14-9-7-13(8-10-14)22-28-19(20-21(24)25-12-26-30(20)22)16-11-15-5-4-6-17(32-3)18(15)27-16;1-27(2)22(30)28-10-7-14(8-11-28)21-26-18(19-20(23)24-9-12-29(19)21)17-13-15-5-3-4-6-16(15)25-17/h1-6,11-15,31H,7-10H2,(H,34,35)(H2,28,29,30);4-6,11-14,27H,7-10H2,1-3H3,(H2,24,25,26);3-7,9,12-13,25H,8,10-11H2,1-2H3,(H2,23,24)
InChIKeyGRDNBACRDFEQIT-UHFFFAOYSA-N
XLogP11.48
TPSA332.17 Ų
H-Bond Donors7
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms97
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001305.50
LogP ≤ 511.48
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1018

Analyze 4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide with MolForge

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Related Compounds

Cerc 006
CID 135398516
4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-[2-[2-[2-[3-[2-[2-[2-[2-[4-[4-[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,14R,15R,16E,18R,19R,21R,23R,25Z,27E,29E,31S,33S,36R)-1,18-dihydroxy-14,19,31-trimethoxy-15,17,21,23,30,36-hexamethyl-2,3,10,20-tetraoxo-11,37-dioxa-4-azatricyclo[31.3.1.04,9]heptatriaconta-16,25,27,29-tetraen-12-yl]propyl]-2-methoxycyclohexyl]oxybutyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]cyclohexane-1-carboxamide
CID 168298845
4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-[2-[2-[2-[3-[2-[2-[2-[2-[4-[4-[(1R,2R,4S)-4-[(2R)-2-[(1R,9S,12S,15R,16E,18R,19R,21R,23R,25Z,27E,29E,31S,33S,36R)-1,18-dihydroxy-19,31-dimethoxy-15,17,21,23,30,36-hexamethyl-2,3,10,14,20-pentaoxo-11,37-dioxa-4-azatricyclo[31.3.1.04,9]heptatriaconta-16,25,27,29-tetraen-12-yl]propyl]-2-methoxycyclohexyl]oxybutyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]ethyl]cyclohexane-1-carboxamide
CID 168299605
2-[4-amino-1-[2-[4-[[2-[4-amino-1-[1-[[2-[4-amino-1-[1-[[2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-6-fluoro-1H-indol-5-yl]oxy]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-4-fluoro-1H-indol-5-yl]oxy]propan-2-yl]pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-5-yl]oxy]-2-methylimidazol-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol
CID 123808231
Aevi-006 tromethamine
CID 135867747
4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid
CID 135887179
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136937098
2-cyclohexyl-N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
CID 136937118
N-[5-[3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136937922
2-cyclohexyl-N-[5-[3-[7-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]acetamide
CID 136938118
N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136945844
2-cyclohexyl-N-[5-[3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 136945858

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide (CID 158340922) is 4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide is CN(C)C(=O)N1CC=C(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.COc1cccc2cc(-c3nc(C4CCC(C(=O)N(C)C)CC4)n4ncnc(N)c34)[nH]c12.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5cccc(F)c5)c4[nH]3)c12.
What is the InChIKey of 4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide?
The InChIKey is GRDNBACRDFEQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O2.C23H27N7O2.C22H23N7O/c27-18-5-1-3-16(11-18)19-6-2-4-17-12-20(31-21(17)19)22-23-24(28)29-13-30-33(23)25(32-22)14-7-9-15(10-8-14)26(34)35;1-29(2)23(31)14-9-7-13(8-10-14)22-28-19(20-21(24)25-12-26-30(20)22)16-11-15-5-4-6-17(32-3)18(15)27-16;1-27(2)22(30)28-10-7-14(8-11-28)21-26-18(19-20(23)24-9-12-29(19)21)17-13-15-5-3-4-6-16(15)25-17/h1-6,11-15,31H,7-10H2,(H,34,35)(H2,28,29,30);4-6,11-14,27H,7-10H2,1-3H3,(H2,24,25,26);3-7,9,12-13,25H,8,10-11H2,1-2H3,(H2,23,24).
What are the key properties of 4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide?
4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide has a molecular weight of 1305.50 g/mol, XLogP of 11.48, 10 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-5-[7-(3-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethyl-3,6-dihydro-2H-pyridine-1-carboxamide;4-[4-amino-5-(7-methoxy-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 158340922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).