4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-ethylsulfonylcyclohexane-1-carboxamide;1-(7-chloro-1H-indol-2-yl)-3-[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine;methyl 4-[4-amino-5-(1H-indol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate

C65H70ClN21O5S — CID 158983604

IUPAC4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-ethylsulfonylcyclohexane-1-carboxamide;1-(7-chloro-1H-indol-2-yl)-3-[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine;methyl 4-[4-amino-5-(1H-indol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
SMILESCCS(=O)(=O)NC(=O)C1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.COC(=O)C1CCC(c2nc(-c3ccc4cc[nH]c4c3)c3c(N)ncnn23)CC1.Nc1nccn2c(C3CCC(C4=NNNN4)CC3)nc(-c3cc4cccc(Cl)c4[nH]3)c12
InChIInChI=1S/C23H26N6O3S.C21H22ClN9.C21H22N6O2/c1-2-33(31,32)28-23(30)15-9-7-14(8-10-15)22-27-19(20-21(24)25-11-12-29(20)22)18-13-16-5-3-4-6-17(16)26-18;22-14-3-1-2-13-10-15(25-16(13)14)17-18-19(23)24-8-9-31(18)21(26-17)12-6-4-11(5-7-12)20-27-29-30-28-20;1-29-21(28)14-5-3-13(4-6-14)20-26-17(18-19(22)24-11-25-27(18)20)15-7-2-12-8-9-23-16(12)10-15/h3-6,11-15,26H,2,7-10H2,1H3,(H2,24,25)(H,28,30);1-3,8-12,25,29-30H,4-7H2,(H2,23,24)(H,27,28);2,7-11,13-14,23H,3-6H2,1H3,(H2,22,24,25)
InChIKeyJPHIKXMLFWEISF-UHFFFAOYSA-N
MW1292.94 g/mol
LogP9.81
Rot. Bonds11

About 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-ethylsulfonylcyclohexane-1-carboxamide;1-(7-chloro-1H-indol-2-yl)-3-[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine;methyl 4-[4-amino-5-(1H-indol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate

4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-ethylsulfonylcyclohexane-1-carboxamide;1-(7-chloro-1H-indol-2-yl)-3-[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine;methyl 4-[4-amino-5-(1H-indol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate (PubChem CID 158983604) has the molecular formula C65H70ClN21O5S and a molecular weight of 1292.94 g/mol. Its IUPAC name is 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-ethylsulfonylcyclohexane-1-carboxamide;1-(7-chloro-1H-indol-2-yl)-3-[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine;methyl 4-[4-amino-5-(1H-indol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-ethylsulfonylcyclohexane-1-carboxamide;1-(7-chloro-1H-indol-2-yl)-3-[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine;methyl 4-[4-amino-5-(1H-indol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
PubChem CID158983604
Molecular FormulaC65H70ClN21O5S
Molecular Weight1292.94 g/mol
Exact Mass1291.53
IUPAC Name4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-ethylsulfonylcyclohexane-1-carboxamide;1-(7-chloro-1H-indol-2-yl)-3-[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine;methyl 4-[4-amino-5-(1H-indol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
SMILESCCS(=O)(=O)NC(=O)C1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.COC(=O)C1CCC(c2nc(-c3ccc4cc[nH]c4c3)c3c(N)ncnn23)CC1.Nc1nccn2c(C3CCC(C4=NNNN4)CC3)nc(-c3cc4cccc(Cl)c4[nH]3)c12
InChIInChI=1S/C23H26N6O3S.C21H22ClN9.C21H22N6O2/c1-2-33(31,32)28-23(30)15-9-7-14(8-10-15)22-27-19(20-21(24)25-11-12-29(20)22)18-13-16-5-3-4-6-17(16)26-18;22-14-3-1-2-13-10-15(25-16(13)14)17-18-19(23)24-8-9-31(18)21(26-17)12-6-4-11(5-7-12)20-27-29-30-28-20;1-29-21(28)14-5-3-13(4-6-14)20-26-17(18-19(22)24-11-25-27(18)20)15-7-2-12-8-9-23-16(12)10-15/h3-6,11-15,26H,2,7-10H2,1H3,(H2,24,25)(H,28,30);1-3,8-12,25,29-30H,4-7H2,(H2,23,24)(H,27,28);2,7-11,13-14,23H,3-6H2,1H3,(H2,22,24,25)
InChIKeyJPHIKXMLFWEISF-UHFFFAOYSA-N
XLogP9.81
TPSA366.88 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds11
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001292.94
LogP ≤ 59.81
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Analyze 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-ethylsulfonylcyclohexane-1-carboxamide;1-(7-chloro-1H-indol-2-yl)-3-[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine;methyl 4-[4-amino-5-(1H-indol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate with MolForge

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Related Compounds

[4-[8-amino-1-(7-phenyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;N-[[4-[4-amino-5-[7-(trifluoromethyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;methyl 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
CID 161047164
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]cyclohexane-1-carboxamide;4-[8-amino-1-[7-(4-fluorophenyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[4-amino-5-(7-methylsulfonyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methyl 4-[4-amino-5-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
CID 158916421
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-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(6-methyl-3-pyridinyl)cyclohexane-1-carboxamide;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-1,2,4-triazol-5-yl)methanone;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]acetamide;4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;methyl 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
CID 160436074
4-[4-amino-5-(1H-indol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methane;methyl 4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]piperidine-1-carboxylate;methyl 4-[4-amino-5-(1H-indol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
CID 160587618
3-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1,1-dimethylurea;N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanesulfonamide;N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-4-methylpiperazine-1-carboxamide;N-[5-[3-[4-(3-chlorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-1-methylpiperidine-4-carboxamide
CID 161001882
4-[4-amino-5-(7-chloro-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[4-amino-5-(7-methylsulfonyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;methyl 4-[4-amino-5-(7-methylsulfonyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
CID 161183334
4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-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 161275904

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-ethylsulfonylcyclohexane-1-carboxamide;1-(7-chloro-1H-indol-2-yl)-3-[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine;methyl 4-[4-amino-5-(1H-indol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate?
The IUPAC name of 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-ethylsulfonylcyclohexane-1-carboxamide;1-(7-chloro-1H-indol-2-yl)-3-[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine;methyl 4-[4-amino-5-(1H-indol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate (CID 158983604) is 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-ethylsulfonylcyclohexane-1-carboxamide;1-(7-chloro-1H-indol-2-yl)-3-[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine;methyl 4-[4-amino-5-(1H-indol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate.
What is the SMILES notation for 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-ethylsulfonylcyclohexane-1-carboxamide;1-(7-chloro-1H-indol-2-yl)-3-[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine;methyl 4-[4-amino-5-(1H-indol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate?
The canonical SMILES for 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-ethylsulfonylcyclohexane-1-carboxamide;1-(7-chloro-1H-indol-2-yl)-3-[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine;methyl 4-[4-amino-5-(1H-indol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate is CCS(=O)(=O)NC(=O)C1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.COC(=O)C1CCC(c2nc(-c3ccc4cc[nH]c4c3)c3c(N)ncnn23)CC1.Nc1nccn2c(C3CCC(C4=NNNN4)CC3)nc(-c3cc4cccc(Cl)c4[nH]3)c12.
What is the InChIKey of 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-ethylsulfonylcyclohexane-1-carboxamide;1-(7-chloro-1H-indol-2-yl)-3-[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine;methyl 4-[4-amino-5-(1H-indol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate?
The InChIKey is JPHIKXMLFWEISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3S.C21H22ClN9.C21H22N6O2/c1-2-33(31,32)28-23(30)15-9-7-14(8-10-15)22-27-19(20-21(24)25-11-12-29(20)22)18-13-16-5-3-4-6-17(16)26-18;22-14-3-1-2-13-10-15(25-16(13)14)17-18-19(23)24-8-9-31(18)21(26-17)12-6-4-11(5-7-12)20-27-29-30-28-20;1-29-21(28)14-5-3-13(4-6-14)20-26-17(18-19(22)24-11-25-27(18)20)15-7-2-12-8-9-23-16(12)10-15/h3-6,11-15,26H,2,7-10H2,1H3,(H2,24,25)(H,28,30);1-3,8-12,25,29-30H,4-7H2,(H2,23,24)(H,27,28);2,7-11,13-14,23H,3-6H2,1H3,(H2,22,24,25).
What are the key properties of 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-ethylsulfonylcyclohexane-1-carboxamide;1-(7-chloro-1H-indol-2-yl)-3-[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine;methyl 4-[4-amino-5-(1H-indol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate?
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-ethylsulfonylcyclohexane-1-carboxamide;1-(7-chloro-1H-indol-2-yl)-3-[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine;methyl 4-[4-amino-5-(1H-indol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate has a molecular weight of 1292.94 g/mol, XLogP of 9.81, 11 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-ethylsulfonylcyclohexane-1-carboxamide;1-(7-chloro-1H-indol-2-yl)-3-[4-(2,3-dihydro-1H-tetrazol-5-yl)cyclohexyl]imidazo[1,5-a]pyrazin-8-amine;methyl 4-[4-amino-5-(1H-indol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 158983604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).