4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide

C78H81N21O3S3 — CID 91131584

IUPAC4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
SMILESCC(=O)NCC1CCC(c2nc(-c3cc4cccc(-c5cccs5)c4[nH]3)c3c(N)nccn23)CC1.CN(C)C(=O)C1CCC(c2nc(-c3cc4cccc(-c5nccs5)c4[nH]3)c3c(N)nccn23)CC1.CN(C)C(=O)N1CCC(c2nc(-c3cc4cccc(-c5nccs5)c4[nH]3)c3c(N)nccn23)CC1
InChIInChI=1S/C27H28N6OS.C26H27N7OS.C25H26N8OS/c1-16(34)30-15-17-7-9-18(10-8-17)27-32-24(25-26(28)29-11-12-33(25)27)21-14-19-4-2-5-20(23(19)31-21)22-6-3-13-35-22;1-32(2)26(34)16-8-6-15(7-9-16)24-31-21(22-23(27)28-10-12-33(22)24)19-14-17-4-3-5-18(20(17)30-19)25-29-11-13-35-25;1-31(2)25(34)32-10-6-15(7-11-32)23-30-20(21-22(26)27-8-12-33(21)23)18-14-16-4-3-5-17(19(16)29-18)24-28-9-13-35-24/h2-6,11-14,17-18,31H,7-10,15H2,1H3,(H2,28,29)(H,30,34);3-5,10-16,30H,6-9H2,1-2H3,(H2,27,28);3-5,8-9,12-15,29H,6-7,10-11H2,1-2H3,(H2,26,27)
InChIKeyIPXLJOOKAXPSTC-UHFFFAOYSA-N
MW1456.85 g/mol
LogP14.99
Rot. Bonds12

About 4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide

4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide (PubChem CID 91131584) has the molecular formula C78H81N21O3S3 and a molecular weight of 1456.85 g/mol. Its IUPAC name is 4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
PubChem CID91131584
Molecular FormulaC78H81N21O3S3
Molecular Weight1456.85 g/mol
Exact Mass1455.60
IUPAC Name4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
SMILESCC(=O)NCC1CCC(c2nc(-c3cc4cccc(-c5cccs5)c4[nH]3)c3c(N)nccn23)CC1.CN(C)C(=O)C1CCC(c2nc(-c3cc4cccc(-c5nccs5)c4[nH]3)c3c(N)nccn23)CC1.CN(C)C(=O)N1CCC(c2nc(-c3cc4cccc(-c5nccs5)c4[nH]3)c3c(N)nccn23)CC1
InChIInChI=1S/C27H28N6OS.C26H27N7OS.C25H26N8OS/c1-16(34)30-15-17-7-9-18(10-8-17)27-32-24(25-26(28)29-11-12-33(25)27)21-14-19-4-2-5-20(23(19)31-21)22-6-3-13-35-22;1-32(2)26(34)16-8-6-15(7-9-16)24-31-21(22-23(27)28-10-12-33(22)24)19-14-17-4-3-5-18(20(17)30-19)25-29-11-13-35-25;1-31(2)25(34)32-10-6-15(7-11-32)23-30-20(21-22(26)27-8-12-33(21)23)18-14-16-4-3-5-17(19(16)29-18)24-28-9-13-35-24/h2-6,11-14,17-18,31H,7-10,15H2,1H3,(H2,28,29)(H,30,34);3-5,10-16,30H,6-9H2,1-2H3,(H2,27,28);3-5,8-9,12-15,29H,6-7,10-11H2,1-2H3,(H2,26,27)
InChIKeyIPXLJOOKAXPSTC-UHFFFAOYSA-N
XLogP14.99
TPSA314.74 Ų
H-Bond Donors7
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001456.85
LogP ≤ 514.99
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1020

Analyze 4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide with MolForge

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Related Compounds

2-tert-butyl-1H-benzimidazole;2-tert-butyl-1,3-benzothiazole;6-tert-butyl-1,3-dihydroindol-2-one;3-tert-butyl-5-methyl-1H-pyrazole;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butyl-1,3-thiazole;1-tert-butyl-3-(trifluoromethyl)benzene
CID 157627259
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]cyclohexane-1-carboxamide;3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
CID 157650926
2-(4-ethyl-2-fluorophenyl)-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;bis(2-(4-ethylphenyl)-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone);2-(1H-indol-6-yl)-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-[4-(5-methylidenepyrrolidin-2-yl)phenyl]-1-[4-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 157995868
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzothiazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-pyrrol-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 158792541
(1R,5S)-N-(2-imidazo[1,2-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-1-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-isoquinolin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(3-methylnaphthalen-1-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(3-methyl-2-pyridinyl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-quinolin-4-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[3-(trifluoromethyl)-2-pyridinyl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 159386052
1-[2-[4-(2-Cyclohexylacetyl)piperazin-1-yl]ethyl]-4-methyl-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-[4-(3-phenylpropanoyl)piperazin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;4-methyl-1-[2-[4-(4,4,4-trifluorobutanoyl)piperazin-1-yl]ethyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
CID 160142087
1-(4H-imidazol-2-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[(1-methylimidazol-2-yl)methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-(2H-pyrrol-4-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile;1-(3H-pyrrol-5-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
CID 160336757
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-[(1S)-1-phenylethyl]cyclohexane-1-carboxamide;3-[1-(benzenesulfonyl)piperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-(1-propylsulfonylpiperidin-4-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(3,3,3-trifluoropropylsulfonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
CID 162079237
4-[4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one;N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[[4-[8-amino-1-(7-ethyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide
CID 162213268
1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 16678350
5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole
CID 57958352
4-[(1S)-1-[[(2S)-2-(methylamino)propanoyl]amino]-2-oxo-2-[1-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-2-yl]ethyl]-N-[8-[4-[(1S)-1-[[(2S)-2-(methylamino)propanoyl]amino]-2-oxo-2-[(2S)-2-(4-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)pyrrolidin-1-yl]ethyl]piperidin-1-yl]-8-oxooctyl]piperidine-1-carboxamide
CID 58208732

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide?
The IUPAC name of 4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide (CID 91131584) is 4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide.
What is the SMILES notation for 4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide?
The canonical SMILES for 4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide is CC(=O)NCC1CCC(c2nc(-c3cc4cccc(-c5cccs5)c4[nH]3)c3c(N)nccn23)CC1.CN(C)C(=O)C1CCC(c2nc(-c3cc4cccc(-c5nccs5)c4[nH]3)c3c(N)nccn23)CC1.CN(C)C(=O)N1CCC(c2nc(-c3cc4cccc(-c5nccs5)c4[nH]3)c3c(N)nccn23)CC1.
What is the InChIKey of 4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide?
The InChIKey is IPXLJOOKAXPSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6OS.C26H27N7OS.C25H26N8OS/c1-16(34)30-15-17-7-9-18(10-8-17)27-32-24(25-26(28)29-11-12-33(25)27)21-14-19-4-2-5-20(23(19)31-21)22-6-3-13-35-22;1-32(2)26(34)16-8-6-15(7-9-16)24-31-21(22-23(27)28-10-12-33(22)24)19-14-17-4-3-5-18(20(17)30-19)25-29-11-13-35-25;1-31(2)25(34)32-10-6-15(7-11-32)23-30-20(21-22(26)27-8-12-33(21)23)18-14-16-4-3-5-17(19(16)29-18)24-28-9-13-35-24/h2-6,11-14,17-18,31H,7-10,15H2,1H3,(H2,28,29)(H,30,34);3-5,10-16,30H,6-9H2,1-2H3,(H2,27,28);3-5,8-9,12-15,29H,6-7,10-11H2,1-2H3,(H2,26,27).
What are the key properties of 4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide?
4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide has a molecular weight of 1456.85 g/mol, XLogP of 14.99, 12 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide is sourced from PubChem (CID 91131584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).