4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(4-methyl-3-pyridinyl)cyclohexane-1-carboxamide;benzyl N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]carbamate;1-(4-bromo-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;methyl 4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate

C95H93BrClN23O5S — CID 161242281

IUPAC4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(4-methyl-3-pyridinyl)cyclohexane-1-carboxamide;benzyl N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]carbamate;1-(4-bromo-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;methyl 4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2nc(-c3cc4cccc(Cl)c4s3)c3c(N)nccn23)CC1.Cc1ccncc1NC(=O)C1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCC3)nc(-c3cc4c(Br)cccc4[nH]3)c12.Nc1ncnn2c(C3CCC(CNC(=O)OCc4ccccc4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C28H29N7O2.C27H27N7O.C22H21ClN4O2S.C18H16BrN5/c29-26-25-24(23-14-21-8-4-5-9-22(21)33-23)34-27(35(25)32-17-31-26)20-12-10-18(11-13-20)15-30-28(36)37-16-19-6-2-1-3-7-19;1-16-10-11-29-15-22(16)32-27(35)18-8-6-17(7-9-18)26-33-23(24-25(28)30-12-13-34(24)26)21-14-19-4-2-3-5-20(19)31-21;1-29-22(28)13-7-5-12(6-8-13)21-26-17(18-20(24)25-9-10-27(18)21)16-11-14-3-2-4-15(23)19(14)30-16;19-12-5-2-6-13-11(12)9-14(22-13)15-16-17(20)21-7-8-24(16)18(23-15)10-3-1-4-10/h1-9,14,17-18,20,33H,10-13,15-16H2,(H,30,36)(H2,29,31,32);2-5,10-15,17-18,31H,6-9H2,1H3,(H2,28,30)(H,32,35);2-4,9-13H,5-8H2,1H3,(H2,24,25);2,5-10,22H,1,3-4H2,(H2,20,21)
InChIKeyVAEFOBKUBJYCIG-UHFFFAOYSA-N
MW1784.37 g/mol
LogP19.91
Rot. Bonds15

About 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(4-methyl-3-pyridinyl)cyclohexane-1-carboxamide;benzyl N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]carbamate;1-(4-bromo-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;methyl 4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate

4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(4-methyl-3-pyridinyl)cyclohexane-1-carboxamide;benzyl N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]carbamate;1-(4-bromo-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;methyl 4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate (PubChem CID 161242281) has the molecular formula C95H93BrClN23O5S and a molecular weight of 1784.37 g/mol. Its IUPAC name is 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(4-methyl-3-pyridinyl)cyclohexane-1-carboxamide;benzyl N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]carbamate;1-(4-bromo-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;methyl 4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(4-methyl-3-pyridinyl)cyclohexane-1-carboxamide;benzyl N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]carbamate;1-(4-bromo-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;methyl 4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
PubChem CID161242281
Molecular FormulaC95H93BrClN23O5S
Molecular Weight1784.37 g/mol
Exact Mass1781.63
IUPAC Name4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(4-methyl-3-pyridinyl)cyclohexane-1-carboxamide;benzyl N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]carbamate;1-(4-bromo-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;methyl 4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(c2nc(-c3cc4cccc(Cl)c4s3)c3c(N)nccn23)CC1.Cc1ccncc1NC(=O)C1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCC3)nc(-c3cc4c(Br)cccc4[nH]3)c12.Nc1ncnn2c(C3CCC(CNC(=O)OCc4ccccc4)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C28H29N7O2.C27H27N7O.C22H21ClN4O2S.C18H16BrN5/c29-26-25-24(23-14-21-8-4-5-9-22(21)33-23)34-27(35(25)32-17-31-26)20-12-10-18(11-13-20)15-30-28(36)37-16-19-6-2-1-3-7-19;1-16-10-11-29-15-22(16)32-27(35)18-8-6-17(7-9-18)26-33-23(24-25(28)30-12-13-34(24)26)21-14-19-4-2-3-5-20(19)31-21;1-29-22(28)13-7-5-12(6-8-13)21-26-17(18-20(24)25-9-10-27(18)21)16-11-14-3-2-4-15(23)19(14)30-16;19-12-5-2-6-13-11(12)9-14(22-13)15-16-17(20)21-7-8-24(16)18(23-15)10-3-1-4-10/h1-9,14,17-18,20,33H,10-13,15-16H2,(H,30,36)(H2,29,31,32);2-5,10-15,17-18,31H,6-9H2,1H3,(H2,28,30)(H,32,35);2-4,9-13H,5-8H2,1H3,(H2,24,25);2,5-10,22H,1,3-4H2,(H2,20,21)
InChIKeyVAEFOBKUBJYCIG-UHFFFAOYSA-N
XLogP19.91
TPSA391.72 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001784.37
LogP ≤ 519.91
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Analyze 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(4-methyl-3-pyridinyl)cyclohexane-1-carboxamide;benzyl N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]carbamate;1-(4-bromo-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;methyl 4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate with MolForge

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Related Compounds

4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(4-methyl-3-pyridinyl)cyclohexane-1-carboxamide;1-(4-bromo-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;1-(7-chloro-1-benzothiophen-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;methyl 4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
CID 157656422
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

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-(4-methyl-3-pyridinyl)cyclohexane-1-carboxamide;benzyl N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]carbamate;1-(4-bromo-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;methyl 4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate?
The IUPAC name of 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(4-methyl-3-pyridinyl)cyclohexane-1-carboxamide;benzyl N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]carbamate;1-(4-bromo-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;methyl 4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate (CID 161242281) is 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(4-methyl-3-pyridinyl)cyclohexane-1-carboxamide;benzyl N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]carbamate;1-(4-bromo-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;methyl 4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-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-(4-methyl-3-pyridinyl)cyclohexane-1-carboxamide;benzyl N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]carbamate;1-(4-bromo-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;methyl 4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate?
The canonical SMILES for 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(4-methyl-3-pyridinyl)cyclohexane-1-carboxamide;benzyl N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]carbamate;1-(4-bromo-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;methyl 4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate is COC(=O)C1CCC(c2nc(-c3cc4cccc(Cl)c4s3)c3c(N)nccn23)CC1.Cc1ccncc1NC(=O)C1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCC3)nc(-c3cc4c(Br)cccc4[nH]3)c12.Nc1ncnn2c(C3CCC(CNC(=O)OCc4ccccc4)CC3)nc(-c3cc4ccccc4[nH]3)c12.
What is the InChIKey of 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(4-methyl-3-pyridinyl)cyclohexane-1-carboxamide;benzyl N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]carbamate;1-(4-bromo-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;methyl 4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate?
The InChIKey is VAEFOBKUBJYCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O2.C27H27N7O.C22H21ClN4O2S.C18H16BrN5/c29-26-25-24(23-14-21-8-4-5-9-22(21)33-23)34-27(35(25)32-17-31-26)20-12-10-18(11-13-20)15-30-28(36)37-16-19-6-2-1-3-7-19;1-16-10-11-29-15-22(16)32-27(35)18-8-6-17(7-9-18)26-33-23(24-25(28)30-12-13-34(24)26)21-14-19-4-2-3-5-20(19)31-21;1-29-22(28)13-7-5-12(6-8-13)21-26-17(18-20(24)25-9-10-27(18)21)16-11-14-3-2-4-15(23)19(14)30-16;19-12-5-2-6-13-11(12)9-14(22-13)15-16-17(20)21-7-8-24(16)18(23-15)10-3-1-4-10/h1-9,14,17-18,20,33H,10-13,15-16H2,(H,30,36)(H2,29,31,32);2-5,10-15,17-18,31H,6-9H2,1H3,(H2,28,30)(H,32,35);2-4,9-13H,5-8H2,1H3,(H2,24,25);2,5-10,22H,1,3-4H2,(H2,20,21).
What are the key properties of 4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(4-methyl-3-pyridinyl)cyclohexane-1-carboxamide;benzyl N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]carbamate;1-(4-bromo-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;methyl 4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate?
4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-(4-methyl-3-pyridinyl)cyclohexane-1-carboxamide;benzyl N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]carbamate;1-(4-bromo-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;methyl 4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate has a molecular weight of 1784.37 g/mol, XLogP of 19.91, 15 rotatable bonds, 9 hydrogen bond donors, and 24 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-(4-methyl-3-pyridinyl)cyclohexane-1-carboxamide;benzyl N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]carbamate;1-(4-bromo-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;methyl 4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 161242281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).