2-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-1H-indole-4-carboxylic acid;[4-[8-amino-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;2-[8-amino-3-[1-(thiophene-3-carbonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-1-yl]-1H-indole-4-carboxylic acid;3-cyclobutyl-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-8-amine

C132H121N29O9S5 — CID 158242985

IUPAC2-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-1H-indole-4-carboxylic acid;[4-[8-amino-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;2-[8-amino-3-[1-(thiophene-3-carbonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-1-yl]-1H-indole-4-carboxylic acid;3-cyclobutyl-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCc1c(-c2nc(C3CCC3)n3ccnc(N)c23)oc2ccccc12.Cc1c(-c2nc(C3CCC3)n3ccnc(N)c23)sc2ccccc12.Cc1c(-c2nc(C3CCN(C(=O)c4ccsc4)CC3)n3ccnc(N)c23)oc2ccccc12.Cc1c(-c2nc(C3CCN(C(=O)c4ccsc4)CC3)n3ccnc(N)c23)sc2ccccc12.Nc1nccn2c(C3CCC3)nc(-c3cc4c(C(=O)O)cccc4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4ccsc4)CC3)nc(-c3cc4c(C(=O)O)cccc4[nH]3)c12
InChIInChI=1S/C25H22N6O3S.C25H23N5O2S.C25H23N5OS2.C19H17N5O2.C19H18N4O.C19H18N4S/c26-22-21-20(19-12-17-16(25(33)34)2-1-3-18(17)28-19)29-23(31(21)10-7-27-22)14-4-8-30(9-5-14)24(32)15-6-11-35-13-15;1-15-18-4-2-3-5-19(18)32-22(15)20-21-23(26)27-9-12-30(21)24(28-20)16-6-10-29(11-7-16)25(31)17-8-13-33-14-17;1-15-18-4-2-3-5-19(18)33-22(15)20-21-23(26)27-9-12-30(21)24(28-20)16-6-10-29(11-7-16)25(31)17-8-13-32-14-17;20-17-16-15(23-18(10-3-1-4-10)24(16)8-7-21-17)14-9-12-11(19(25)26)5-2-6-13(12)22-14;2*1-11-13-7-2-3-8-14(13)24-17(11)15-16-18(20)21-9-10-23(16)19(22-15)12-5-4-6-12/h1-3,6-7,10-14,28H,4-5,8-9H2,(H2,26,27)(H,33,34);2*2-5,8-9,12-14,16H,6-7,10-11H2,1H3,(H2,26,27);2,5-10,22H,1,3-4H2,(H2,20,21)(H,25,26);2*2-3,7-10,12H,4-6H2,1H3,(H2,20,21)
InChIKeyGFTUPJWVWCZNDN-UHFFFAOYSA-N
MW2417.95 g/mol
LogP27.43
Rot. Bonds17

About 2-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-1H-indole-4-carboxylic acid;[4-[8-amino-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;2-[8-amino-3-[1-(thiophene-3-carbonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-1-yl]-1H-indole-4-carboxylic acid;3-cyclobutyl-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-8-amine

2-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-1H-indole-4-carboxylic acid;[4-[8-amino-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;2-[8-amino-3-[1-(thiophene-3-carbonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-1-yl]-1H-indole-4-carboxylic acid;3-cyclobutyl-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 158242985) has the molecular formula C132H121N29O9S5 and a molecular weight of 2417.95 g/mol. Its IUPAC name is 2-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-1H-indole-4-carboxylic acid;[4-[8-amino-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;2-[8-amino-3-[1-(thiophene-3-carbonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-1-yl]-1H-indole-4-carboxylic acid;3-cyclobutyl-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name2-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-1H-indole-4-carboxylic acid;[4-[8-amino-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;2-[8-amino-3-[1-(thiophene-3-carbonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-1-yl]-1H-indole-4-carboxylic acid;3-cyclobutyl-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID158242985
Molecular FormulaC132H121N29O9S5
Molecular Weight2417.95 g/mol
Exact Mass2415.85
IUPAC Name2-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-1H-indole-4-carboxylic acid;[4-[8-amino-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;2-[8-amino-3-[1-(thiophene-3-carbonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-1-yl]-1H-indole-4-carboxylic acid;3-cyclobutyl-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCc1c(-c2nc(C3CCC3)n3ccnc(N)c23)oc2ccccc12.Cc1c(-c2nc(C3CCC3)n3ccnc(N)c23)sc2ccccc12.Cc1c(-c2nc(C3CCN(C(=O)c4ccsc4)CC3)n3ccnc(N)c23)oc2ccccc12.Cc1c(-c2nc(C3CCN(C(=O)c4ccsc4)CC3)n3ccnc(N)c23)sc2ccccc12.Nc1nccn2c(C3CCC3)nc(-c3cc4c(C(=O)O)cccc4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4ccsc4)CC3)nc(-c3cc4c(C(=O)O)cccc4[nH]3)c12
InChIInChI=1S/C25H22N6O3S.C25H23N5O2S.C25H23N5OS2.C19H17N5O2.C19H18N4O.C19H18N4S/c26-22-21-20(19-12-17-16(25(33)34)2-1-3-18(17)28-19)29-23(31(21)10-7-27-22)14-4-8-30(9-5-14)24(32)15-6-11-35-13-15;1-15-18-4-2-3-5-19(18)32-22(15)20-21-23(26)27-9-12-30(21)24(28-20)16-6-10-29(11-7-16)25(31)17-8-13-33-14-17;1-15-18-4-2-3-5-19(18)33-22(15)20-21-23(26)27-9-12-30(21)24(28-20)16-6-10-29(11-7-16)25(31)17-8-13-32-14-17;20-17-16-15(23-18(10-3-1-4-10)24(16)8-7-21-17)14-9-12-11(19(25)26)5-2-6-13(12)22-14;2*1-11-13-7-2-3-8-14(13)24-17(11)15-16-18(20)21-9-10-23(16)19(22-15)12-5-4-6-12/h1-3,6-7,10-14,28H,4-5,8-9H2,(H2,26,27)(H,33,34);2*2-5,8-9,12-14,16H,6-7,10-11H2,1H3,(H2,26,27);2,5-10,22H,1,3-4H2,(H2,20,21)(H,25,26);2*2-3,7-10,12H,4-6H2,1H3,(H2,20,21)
InChIKeyGFTUPJWVWCZNDN-UHFFFAOYSA-N
XLogP27.43
TPSA530.65 Ų
H-Bond Donors10
H-Bond Acceptors36
Rotatable Bonds17
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002417.95
LogP ≤ 527.43
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1036

Analyze 2-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-1H-indole-4-carboxylic acid;[4-[8-amino-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;2-[8-amino-3-[1-(thiophene-3-carbonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-1-yl]-1H-indole-4-carboxylic acid;3-cyclobutyl-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-8-amine with MolForge

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Launch Full Analysis

Related Compounds

1-[(3-aminophenyl)methyl]-3-(2,6-dioxo-3,7-dihydropurin-1-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;1-[(3-aminophenyl)methyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;1-benzyl-3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-5-(trifluoromethyl)indole-2-carboxylic acid;3-(2,4-dioxo-1H-thieno[3,4-d]pyrimidin-3-yl)-1-(furan-2-ylmethyl)-5-(trifluoromethyl)indole-2-carboxylic acid
CID 159344224
3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[3-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]-N-[3-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 159452581
3-[[4-(1,3-benzodioxol-5-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide;3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide;3-[[4-(1-benzothiophen-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]benzamide;4-methyl-N-[2-methyl-5-(trifluoromethyl)phenyl]-3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]benzamide
CID 159461289
N-[3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide
CID 159780650
N-[3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[3-[[4-(1-benzothiophen-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide
CID 161678402
4-[8-amino-1-(1-benzofuran-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-5-ethyl-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;N-[[4-[8-amino-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
CID 90701143
4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol
CID 91153354
4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol
CID 91229474
4-[8-amino-1-(1-benzofuran-2-yl)-5-methylimidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;N-[[4-[8-amino-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[[4-[8-amino-1-(1H-pyrrolo[3,2-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
CID 91465518
4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-oxo-1,6-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;N-[[4-[8-amino-1-(1H-pyrrolo[2,3-b]pyridin-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]cyclohexyl]methanol
CID 91539982
1-(1-benzothiophen-5-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;1-(1,3-benzoxazol-5-yl)-3-cyclobutylimidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(1H-inden-5-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(1H-indol-6-yl)imidazo[1,5-a]pyrazin-8-amine
CID 124019242
5-[7-[4-[2-[7-[4-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]furan-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
CID 145033329

Frequently Asked Questions

What is the IUPAC name of 2-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-1H-indole-4-carboxylic acid;[4-[8-amino-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;2-[8-amino-3-[1-(thiophene-3-carbonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-1-yl]-1H-indole-4-carboxylic acid;3-cyclobutyl-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 2-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-1H-indole-4-carboxylic acid;[4-[8-amino-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;2-[8-amino-3-[1-(thiophene-3-carbonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-1-yl]-1H-indole-4-carboxylic acid;3-cyclobutyl-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-8-amine (CID 158242985) is 2-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-1H-indole-4-carboxylic acid;[4-[8-amino-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;2-[8-amino-3-[1-(thiophene-3-carbonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-1-yl]-1H-indole-4-carboxylic acid;3-cyclobutyl-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 2-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-1H-indole-4-carboxylic acid;[4-[8-amino-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;2-[8-amino-3-[1-(thiophene-3-carbonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-1-yl]-1H-indole-4-carboxylic acid;3-cyclobutyl-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 2-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-1H-indole-4-carboxylic acid;[4-[8-amino-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;2-[8-amino-3-[1-(thiophene-3-carbonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-1-yl]-1H-indole-4-carboxylic acid;3-cyclobutyl-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-8-amine is Cc1c(-c2nc(C3CCC3)n3ccnc(N)c23)oc2ccccc12.Cc1c(-c2nc(C3CCC3)n3ccnc(N)c23)sc2ccccc12.Cc1c(-c2nc(C3CCN(C(=O)c4ccsc4)CC3)n3ccnc(N)c23)oc2ccccc12.Cc1c(-c2nc(C3CCN(C(=O)c4ccsc4)CC3)n3ccnc(N)c23)sc2ccccc12.Nc1nccn2c(C3CCC3)nc(-c3cc4c(C(=O)O)cccc4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4ccsc4)CC3)nc(-c3cc4c(C(=O)O)cccc4[nH]3)c12.
What is the InChIKey of 2-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-1H-indole-4-carboxylic acid;[4-[8-amino-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;2-[8-amino-3-[1-(thiophene-3-carbonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-1-yl]-1H-indole-4-carboxylic acid;3-cyclobutyl-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is GFTUPJWVWCZNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O3S.C25H23N5O2S.C25H23N5OS2.C19H17N5O2.C19H18N4O.C19H18N4S/c26-22-21-20(19-12-17-16(25(33)34)2-1-3-18(17)28-19)29-23(31(21)10-7-27-22)14-4-8-30(9-5-14)24(32)15-6-11-35-13-15;1-15-18-4-2-3-5-19(18)32-22(15)20-21-23(26)27-9-12-30(21)24(28-20)16-6-10-29(11-7-16)25(31)17-8-13-33-14-17;1-15-18-4-2-3-5-19(18)33-22(15)20-21-23(26)27-9-12-30(21)24(28-20)16-6-10-29(11-7-16)25(31)17-8-13-32-14-17;20-17-16-15(23-18(10-3-1-4-10)24(16)8-7-21-17)14-9-12-11(19(25)26)5-2-6-13(12)22-14;2*1-11-13-7-2-3-8-14(13)24-17(11)15-16-18(20)21-9-10-23(16)19(22-15)12-5-4-6-12/h1-3,6-7,10-14,28H,4-5,8-9H2,(H2,26,27)(H,33,34);2*2-5,8-9,12-14,16H,6-7,10-11H2,1H3,(H2,26,27);2,5-10,22H,1,3-4H2,(H2,20,21)(H,25,26);2*2-3,7-10,12H,4-6H2,1H3,(H2,20,21).
What are the key properties of 2-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-1H-indole-4-carboxylic acid;[4-[8-amino-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;2-[8-amino-3-[1-(thiophene-3-carbonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-1-yl]-1H-indole-4-carboxylic acid;3-cyclobutyl-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-8-amine?
2-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-1H-indole-4-carboxylic acid;[4-[8-amino-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;2-[8-amino-3-[1-(thiophene-3-carbonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-1-yl]-1H-indole-4-carboxylic acid;3-cyclobutyl-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 2417.95 g/mol, XLogP of 27.43, 17 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)-1H-indole-4-carboxylic acid;[4-[8-amino-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;2-[8-amino-3-[1-(thiophene-3-carbonyl)piperidin-4-yl]imidazo[1,5-a]pyrazin-1-yl]-1H-indole-4-carboxylic acid;3-cyclobutyl-1-(3-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-cyclobutyl-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 158242985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).