[4-[8-amino-1-(1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-benzothiophen-5-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone

C80H70N18O3S3 — CID 159344694

IUPAC[4-[8-amino-1-(1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-benzothiophen-5-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone
SMILESNc1nccn2c(C3CCN(C(=O)c4ccc5sccc5c4)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4cccc5cc[nH]c45)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4ccsc4)CC3)nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C28H25N7O.C28H24N6OS.C24H21N5OS2/c29-26-25-24(22-16-19-4-1-2-7-21(19)32-22)33-27(35(25)15-12-31-26)18-9-13-34(14-10-18)28(36)20-6-3-5-17-8-11-30-23(17)20;29-26-25-24(22-16-18-3-1-2-4-21(18)31-22)32-27(34(25)13-10-30-26)17-7-11-33(12-8-17)28(35)20-5-6-23-19(15-20)9-14-36-23;25-22-21-20(19-13-16-3-1-2-4-18(16)32-19)27-23(29(21)11-8-26-22)15-5-9-28(10-6-15)24(30)17-7-12-31-14-17/h1-8,11-12,15-16,18,30,32H,9-10,13-14H2,(H2,29,31);1-6,9-10,13-17,31H,7-8,11-12H2,(H2,29,30);1-4,7-8,11-15H,5-6,9-10H2,(H2,25,26)
InChIKeyLGOMCRYNPSMTDY-UHFFFAOYSA-N
MW1427.76 g/mol
LogP15.93
Rot. Bonds9

About [4-[8-amino-1-(1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-benzothiophen-5-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone

[4-[8-amino-1-(1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-benzothiophen-5-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone (PubChem CID 159344694) has the molecular formula C80H70N18O3S3 and a molecular weight of 1427.76 g/mol. Its IUPAC name is [4-[8-amino-1-(1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-benzothiophen-5-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone.

Molecular Properties

Compound Name[4-[8-amino-1-(1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-benzothiophen-5-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone
PubChem CID159344694
Molecular FormulaC80H70N18O3S3
Molecular Weight1427.76 g/mol
Exact Mass1426.50
IUPAC Name[4-[8-amino-1-(1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-benzothiophen-5-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone
SMILESNc1nccn2c(C3CCN(C(=O)c4ccc5sccc5c4)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4cccc5cc[nH]c45)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4ccsc4)CC3)nc(-c3cc4ccccc4s3)c12
InChIInChI=1S/C28H25N7O.C28H24N6OS.C24H21N5OS2/c29-26-25-24(22-16-19-4-1-2-7-21(19)32-22)33-27(35(25)15-12-31-26)18-9-13-34(14-10-18)28(36)20-6-3-5-17-8-11-30-23(17)20;29-26-25-24(22-16-18-3-1-2-4-21(18)31-22)32-27(34(25)13-10-30-26)17-7-11-33(12-8-17)28(35)20-5-6-23-19(15-20)9-14-36-23;25-22-21-20(19-13-16-3-1-2-4-18(16)32-19)27-23(29(21)11-8-26-22)15-5-9-28(10-6-15)24(30)17-7-12-31-14-17/h1-8,11-12,15-16,18,30,32H,9-10,13-14H2,(H2,29,31);1-6,9-10,13-17,31H,7-8,11-12H2,(H2,29,30);1-4,7-8,11-15H,5-6,9-10H2,(H2,25,26)
InChIKeyLGOMCRYNPSMTDY-UHFFFAOYSA-N
XLogP15.93
TPSA276.93 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms104
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001427.76
LogP ≤ 515.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze [4-[8-amino-1-(1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-benzothiophen-5-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone with MolForge

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Related Compounds

N-[5-[7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 137059186
N-[5-[7-[2-fluoro-5-[2-[5-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-3-yl]-3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]-3-pyridinyl]benzamide
CID 137160625
N-[5-[6-fluoro-7-[5-[2-[6-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-3-yl]-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 145034719
5-[3-[7-[5-[4-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-6-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1,2-dihydroquinazolin-8-yl]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-(cyclopropylmethyl)pyridine-3-carboxamide
CID 145308775
N-[5-[3-[7-(5-acetylthiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide;1-[5-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;1-[5-[2-[5-[5-[(cyclopentylmethylamino)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;N-[3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 157348909
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
3-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrazine-2-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(4-fluoro-3-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 159275399
3-[[5-(4-aminopyrido[3,4-d]pyrimidin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrazine-2-carboxamide;5-[[5-(4-aminoquinazolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 159972431
3-[[2-(1H-indol-3-yl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide;4-methyl-N-phenyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]benzamide;1-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propane-2-thione;1-[4-methyl-3-[(2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)amino]phenyl]-3-[3-(trifluoromethyl)phenyl]propan-2-one;N-[2-methyl-5-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]phenyl]-2-pyridin-3-yl-5H-pyrrolo[3,2-d]pyrimidin-4-amine
CID 161025385
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridine;1-[5-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(5-methylthiophen-2-yl)-3H-imidazo[4,5-c]pyridine;1-[5-[3-(3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]-2-piperidin-4-ylethanone;methane
CID 161746003
5-[[5-(4-aminoquinolin-6-yl)thiophen-2-yl]methylamino]-3-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]pyrido[4,3-d]pyrimidin-4-one;N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-5-(trifluoromethyl)pyridine-3-carboxamide;N-[(3-fluoro-4-methylphenyl)methyl]-2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]pyridine-3-carboxamide;2-[[5-(1-methylimidazo[4,5-c]quinolin-8-yl)thiophen-2-yl]methylamino]-N-[(1S)-1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 161997724
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

Frequently Asked Questions

What is the IUPAC name of [4-[8-amino-1-(1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-benzothiophen-5-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone?
The IUPAC name of [4-[8-amino-1-(1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-benzothiophen-5-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone (CID 159344694) is [4-[8-amino-1-(1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-benzothiophen-5-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone.
What is the SMILES notation for [4-[8-amino-1-(1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-benzothiophen-5-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone?
The canonical SMILES for [4-[8-amino-1-(1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-benzothiophen-5-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone is Nc1nccn2c(C3CCN(C(=O)c4ccc5sccc5c4)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4cccc5cc[nH]c45)CC3)nc(-c3cc4ccccc4[nH]3)c12.Nc1nccn2c(C3CCN(C(=O)c4ccsc4)CC3)nc(-c3cc4ccccc4s3)c12.
What is the InChIKey of [4-[8-amino-1-(1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-benzothiophen-5-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone?
The InChIKey is LGOMCRYNPSMTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7O.C28H24N6OS.C24H21N5OS2/c29-26-25-24(22-16-19-4-1-2-7-21(19)32-22)33-27(35(25)15-12-31-26)18-9-13-34(14-10-18)28(36)20-6-3-5-17-8-11-30-23(17)20;29-26-25-24(22-16-18-3-1-2-4-21(18)31-22)32-27(34(25)13-10-30-26)17-7-11-33(12-8-17)28(35)20-5-6-23-19(15-20)9-14-36-23;25-22-21-20(19-13-16-3-1-2-4-18(16)32-19)27-23(29(21)11-8-26-22)15-5-9-28(10-6-15)24(30)17-7-12-31-14-17/h1-8,11-12,15-16,18,30,32H,9-10,13-14H2,(H2,29,31);1-6,9-10,13-17,31H,7-8,11-12H2,(H2,29,30);1-4,7-8,11-15H,5-6,9-10H2,(H2,25,26).
What are the key properties of [4-[8-amino-1-(1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-benzothiophen-5-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone?
[4-[8-amino-1-(1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-benzothiophen-5-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone has a molecular weight of 1427.76 g/mol, XLogP of 15.93, 9 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[8-amino-1-(1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1-benzothiophen-5-yl)methanone;[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-(1H-indol-7-yl)methanone is sourced from PubChem (CID 159344694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).