[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(5-chloro-1,3-dimethylpyrazol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-ethylsulfanylphenyl)methanone;3-[2-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one

C77H78ClN21O4S2 — CID 158689819

IUPAC[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(5-chloro-1,3-dimethylpyrazol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-ethylsulfanylphenyl)methanone;3-[2-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESCCSc1ccc(C(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)cc1.Cc1nn(C)c(Cl)c1C(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCN(C(=O)CN4CSCC4=O)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C28H28N6OS.C25H25ClN8O.C24H25N7O2S/c1-2-36-21-9-7-19(8-10-21)28(35)33-14-11-18(12-15-33)27-32-24(25-26(29)30-13-16-34(25)27)23-17-20-5-3-4-6-22(20)31-23;1-14-19(22(26)32(2)31-14)25(35)33-10-7-15(8-11-33)24-30-20(21-23(27)28-9-12-34(21)24)18-13-16-5-3-4-6-17(16)29-18;25-23-22-21(18-11-16-3-1-2-4-17(16)27-18)28-24(31(22)10-7-26-23)15-5-8-29(9-6-15)19(32)12-30-14-34-13-20(30)33/h3-10,13,16-18,31H,2,11-12,14-15H2,1H3,(H2,29,30);3-6,9,12-13,15,29H,7-8,10-11H2,1-2H3,(H2,27,28);1-4,7,10-11,15,27H,5-6,8-9,12-14H2,(H2,25,26)
InChIKeyIGEXPPLWFAMVPL-UHFFFAOYSA-N
MW1461.20 g/mol
LogP12.47
Rot. Bonds12

About [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(5-chloro-1,3-dimethylpyrazol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-ethylsulfanylphenyl)methanone;3-[2-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one

[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(5-chloro-1,3-dimethylpyrazol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-ethylsulfanylphenyl)methanone;3-[2-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one (PubChem CID 158689819) has the molecular formula C77H78ClN21O4S2 and a molecular weight of 1461.20 g/mol. Its IUPAC name is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(5-chloro-1,3-dimethylpyrazol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-ethylsulfanylphenyl)methanone;3-[2-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(5-chloro-1,3-dimethylpyrazol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-ethylsulfanylphenyl)methanone;3-[2-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
PubChem CID158689819
Molecular FormulaC77H78ClN21O4S2
Molecular Weight1461.20 g/mol
Exact Mass1459.57
IUPAC Name[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(5-chloro-1,3-dimethylpyrazol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-ethylsulfanylphenyl)methanone;3-[2-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one
SMILESCCSc1ccc(C(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)cc1.Cc1nn(C)c(Cl)c1C(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCN(C(=O)CN4CSCC4=O)CC3)nc(-c3cc4ccccc4[nH]3)c12
InChIInChI=1S/C28H28N6OS.C25H25ClN8O.C24H25N7O2S/c1-2-36-21-9-7-19(8-10-21)28(35)33-14-11-18(12-15-33)27-32-24(25-26(29)30-13-16-34(25)27)23-17-20-5-3-4-6-22(20)31-23;1-14-19(22(26)32(2)31-14)25(35)33-10-7-15(8-11-33)24-30-20(21-23(27)28-9-12-34(21)24)18-13-16-5-3-4-6-17(16)29-18;25-23-22-21(18-11-16-3-1-2-4-17(16)27-18)28-24(31(22)10-7-26-23)15-5-8-29(9-6-15)19(32)12-30-14-34-13-20(30)33/h3-10,13,16-18,31H,2,11-12,14-15H2,1H3,(H2,29,30);3-6,9,12-13,15,29H,7-8,10-11H2,1-2H3,(H2,27,28);1-4,7,10-11,15,27H,5-6,8-9,12-14H2,(H2,25,26)
InChIKeyIGEXPPLWFAMVPL-UHFFFAOYSA-N
XLogP12.47
TPSA315.06 Ų
H-Bond Donors6
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms105
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001461.20
LogP ≤ 512.47
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1020

Analyze [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(5-chloro-1,3-dimethylpyrazol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-ethylsulfanylphenyl)methanone;3-[2-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one with MolForge

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Related Compounds

[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(5-chloro-1,3-dimethylpyrazol-4-yl)methanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]hex-5-yn-1-one;3-[2-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
CID 161550473
N,N-dimethyl-1-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;2-phenyl-N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]acetamide;N-propan-2-yl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 157223617
5-chloro-N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]thiophene-2-carboxamide;N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]imidazo[1,2-a]pyridine-2-carboxamide;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyrazin-2-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-imidazo[1,2-a]pyridin-3-yl-3-oxopropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-2-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile;1-[4-[(1S)-1-cyclohexyl-3-oxo-3-pyrazolo[1,5-a]pyridin-3-ylpropyl]triazol-1-yl]cyclopropane-1-carbonitrile
CID 157392542
N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]propanamide;1-[5-[2-[5-(5-amino-3-pyridinyl)-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;1-[5-[2-(5-pyridin-3-yl-1H-indazol-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone
CID 157467481
1-[3-(4-Aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-(2-fluorophenyl)propan-2-one;1-[4-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]imidazol-1-yl]ethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-4-methylhexan-2-one;2-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-thiophen-2-ylethanone;1-[3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-3-thiophen-3-ylpropan-2-one;1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157506457
N-[2-[(2S)-2-[2-(azetidin-1-yl)pyrrolo[1,2-b]pyridazin-6-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[(2S)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[4-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[5-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]thiophen-3-yl]methanesulfonamide
CID 157576426
N-[2-[(2S)-2-[2-(azetidin-1-yl)pyrrolo[1,2-b]pyridazin-6-yl]piperidine-1-carbonyl]-4-chlorophenyl]methanesulfonamide;N-[4-chloro-2-[2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethyl-1H-imidazo[4,5-b]pyridin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[2-[(2S)-2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carbonyl]-4-methylphenyl]methanesulfonamide;N-[4-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]phenyl]methanesulfonamide;N-[5-methyl-2-[(2S)-2-[7-methyl-6-[(3S)-3-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazin-2-yl]piperidine-1-carbonyl]thiophen-3-yl]methanesulfonamide
CID 157576427
4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(1-methylimidazol-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[(5-methyl-1,3-thiazol-2-yl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(1,3-thiazol-2-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(thiophen-3-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 157619075
2-methyl-N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;2-phenyl-N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine;2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 157837073
2,2-dimethyl-N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;2-methyl-N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;2-phenyl-N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide;2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 157960767
(5Z)-4-(3-chloro-4-fluoroanilino)-5-[[3,5-dimethyl-4-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one;4-[5-(4-fluorophenyl)-3-methyl-2-(4-methylsulfanylphenyl)imidazol-4-yl]-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;6-(methylamino)-N-[3-[2-(methylamino)-6-oxo-5,7-dihydropyrrolo[2,3-d]pyrimidin-4-yl]phenyl]pyridine-3-carboxamide
CID 158005143
N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-chloro-6-fluoro-1-benzothiophene-2-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-1H-indole-3-carboxamide;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]quinoline-2-carboxamide;1-(4-chloro-1H-indol-2-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine
CID 158215175

Frequently Asked Questions

What is the IUPAC name of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(5-chloro-1,3-dimethylpyrazol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-ethylsulfanylphenyl)methanone;3-[2-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The IUPAC name of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(5-chloro-1,3-dimethylpyrazol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-ethylsulfanylphenyl)methanone;3-[2-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one (CID 158689819) is [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(5-chloro-1,3-dimethylpyrazol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-ethylsulfanylphenyl)methanone;3-[2-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one.
What is the SMILES notation for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(5-chloro-1,3-dimethylpyrazol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-ethylsulfanylphenyl)methanone;3-[2-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The canonical SMILES for [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(5-chloro-1,3-dimethylpyrazol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-ethylsulfanylphenyl)methanone;3-[2-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one is CCSc1ccc(C(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)cc1.Cc1nn(C)c(Cl)c1C(=O)N1CCC(c2nc(-c3cc4ccccc4[nH]3)c3c(N)nccn23)CC1.Nc1nccn2c(C3CCN(C(=O)CN4CSCC4=O)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]piperidin-1-yl]-(5-chloro-1,3-dimethylpyrazol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-ethylsulfanylphenyl)methanone;3-[2-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
The InChIKey is IGEXPPLWFAMVPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6OS.C25H25ClN8O.C24H25N7O2S/c1-2-36-21-9-7-19(8-10-21)28(35)33-14-11-18(12-15-33)27-32-24(25-26(29)30-13-16-34(25)27)23-17-20-5-3-4-6-22(20)31-23;1-14-19(22(26)32(2)31-14)25(35)33-10-7-15(8-11-33)24-30-20(21-23(27)28-9-12-34(21)24)18-13-16-5-3-4-6-17(16)29-18;25-23-22-21(18-11-16-3-1-2-4-17(16)27-18)28-24(31(22)10-7-26-23)15-5-8-29(9-6-15)19(32)12-30-14-34-13-20(30)33/h3-10,13,16-18,31H,2,11-12,14-15H2,1H3,(H2,29,30);3-6,9,12-13,15,29H,7-8,10-11H2,1-2H3,(H2,27,28);1-4,7,10-11,15,27H,5-6,8-9,12-14H2,(H2,25,26).
What are the key properties of [4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(5-chloro-1,3-dimethylpyrazol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-ethylsulfanylphenyl)methanone;3-[2-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one?
[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(5-chloro-1,3-dimethylpyrazol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-ethylsulfanylphenyl)methanone;3-[2-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one has a molecular weight of 1461.20 g/mol, XLogP of 12.47, 12 rotatable bonds, 6 hydrogen bond donors, and 20 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]piperidin-1-yl]-(5-chloro-1,3-dimethylpyrazol-4-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(4-ethylsulfanylphenyl)methanone;3-[2-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-oxoethyl]-1,3-thiazolidin-4-one is sourced from PubChem (CID 158689819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).