4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide

C51H53N11O2S2 — CID 91315020

IUPAC4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide
SMILESCc1cccc2cc(-c3nc(C4CCC(C(=O)N(C)C)CC4)n4ccnc(N)c34)sc12.Cc1cccc2cc(-c3nc(C4CCC(C(=O)Nc5cccnc5)CC4)n4ccnc(N)c34)sc12
InChIInChI=1S/C27H26N6OS.C24H27N5OS/c1-16-4-2-5-19-14-21(35-24(16)19)22-23-25(28)30-12-13-33(23)26(32-22)17-7-9-18(10-8-17)27(34)31-20-6-3-11-29-15-20;1-14-5-4-6-17-13-18(31-21(14)17)19-20-22(25)26-11-12-29(20)23(27-19)15-7-9-16(10-8-15)24(30)28(2)3/h2-6,11-15,17-18H,7-10H2,1H3,(H2,28,30)(H,31,34);4-6,11-13,15-16H,7-10H2,1-3H3,(H2,25,26)
InChIKeyYZBLJNQHERZTSY-UHFFFAOYSA-N
MW916.19 g/mol
LogP10.67
Rot. Bonds7

About 4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide

4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide (PubChem CID 91315020) has the molecular formula C51H53N11O2S2 and a molecular weight of 916.19 g/mol. Its IUPAC name is 4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide
PubChem CID91315020
Molecular FormulaC51H53N11O2S2
Molecular Weight916.19 g/mol
Exact Mass915.38
IUPAC Name4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide
SMILESCc1cccc2cc(-c3nc(C4CCC(C(=O)N(C)C)CC4)n4ccnc(N)c34)sc12.Cc1cccc2cc(-c3nc(C4CCC(C(=O)Nc5cccnc5)CC4)n4ccnc(N)c34)sc12
InChIInChI=1S/C27H26N6OS.C24H27N5OS/c1-16-4-2-5-19-14-21(35-24(16)19)22-23-25(28)30-12-13-33(23)26(32-22)17-7-9-18(10-8-17)27(34)31-20-6-3-11-29-15-20;1-14-5-4-6-17-13-18(31-21(14)17)19-20-22(25)26-11-12-29(20)23(27-19)15-7-9-16(10-8-15)24(30)28(2)3/h2-6,11-15,17-18H,7-10H2,1H3,(H2,28,30)(H,31,34);4-6,11-13,15-16H,7-10H2,1-3H3,(H2,25,26)
InChIKeyYZBLJNQHERZTSY-UHFFFAOYSA-N
XLogP10.67
TPSA174.72 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds7
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500916.19
LogP ≤ 510.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide with MolForge

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Related Compounds

N-[[4-(4-benzyl-1-piperidyl)phenyl]methyl]-2-dibenzothiophen-2-yl-imidazo[1,2-a]pyridine-3-carboxamide
CID 127043749
[4-[8-Amino-1-(3-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 59133216
US9718828, Example, 118
CID 71222582
N-[[4-(4-benzylpiperazin-1-yl)phenyl]methyl]-2-dibenzothiophen-2-yl-imidazo[1,2-a]pyridine-3-carboxamide
CID 127043750
H-Orn-D-Trp-Cha-Ala(benzothiophen-3-yl)(benzothiophen-3-yl)-D-Phe-His(1-Bn)-NH2
CID 137634636
H-Orn-D-Trp-Cha-Ile-Ala(benzothiophen-3-yl)(benzothiophen-3-yl)-His(1-Bn)-NH2
CID 137655243
[4-[8-Amino-1-(1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 59261385
4-[4-[8-Amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one
CID 58382701
N-[[4-[8-amino-1-(7-ethynyl-4-fluoro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
CID 58878149
N-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
CID 59133018
N-(3-fluoro-4-pyridinyl)-2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]thiophen-2-yl]acetamide
CID 59503476
N-[3-[3-[2-[3-[2-(dimethylamino)ethyl]anilino]pyrimidin-4-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]phenyl]-2-thiophen-2-ylacetamide
CID 67160181

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide?
The IUPAC name of 4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide (CID 91315020) is 4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide.
What is the SMILES notation for 4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide?
The canonical SMILES for 4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide is Cc1cccc2cc(-c3nc(C4CCC(C(=O)N(C)C)CC4)n4ccnc(N)c34)sc12.Cc1cccc2cc(-c3nc(C4CCC(C(=O)Nc5cccnc5)CC4)n4ccnc(N)c34)sc12.
What is the InChIKey of 4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide?
The InChIKey is YZBLJNQHERZTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6OS.C24H27N5OS/c1-16-4-2-5-19-14-21(35-24(16)19)22-23-25(28)30-12-13-33(23)26(32-22)17-7-9-18(10-8-17)27(34)31-20-6-3-11-29-15-20;1-14-5-4-6-17-13-18(31-21(14)17)19-20-22(25)26-11-12-29(20)23(27-19)15-7-9-16(10-8-15)24(30)28(2)3/h2-6,11-15,17-18H,7-10H2,1H3,(H2,28,30)(H,31,34);4-6,11-13,15-16H,7-10H2,1-3H3,(H2,25,26).
What are the key properties of 4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide?
4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide has a molecular weight of 916.19 g/mol, XLogP of 10.67, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 91315020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).