4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide

C25H26N8OS — CID 59133151

IUPAC4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(c2nc(-c3cc4cccc(-c5nccs5)c4[nH]3)c3c(N)nccn23)CC1
InChIInChI=1S/C25H26N8OS/c1-31(2)25(34)32-10-6-15(7-11-32)23-30-20(21-22(26)27-8-12-33(21)23)18-14-16-4-3-5-17(19(16)29-18)24-28-9-13-35-24/h3-5,8-9,12-15,29H,6-7,10-11H2,1-2H3,(H2,26,27)
InChIKeyGIJYAZLJRJZXNE-UHFFFAOYSA-N
MW486.61 g/mol
LogP4.44
Rot. Bonds3

About 4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide

4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 59133151) has the molecular formula C25H26N8OS and a molecular weight of 486.61 g/mol. Its IUPAC name is 4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide
PubChem CID59133151
Molecular FormulaC25H26N8OS
Molecular Weight486.61 g/mol
Exact Mass486.20
IUPAC Name4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(c2nc(-c3cc4cccc(-c5nccs5)c4[nH]3)c3c(N)nccn23)CC1
InChIInChI=1S/C25H26N8OS/c1-31(2)25(34)32-10-6-15(7-11-32)23-30-20(21-22(26)27-8-12-33(21)23)18-14-16-4-3-5-17(19(16)29-18)24-28-9-13-35-24/h3-5,8-9,12-15,29H,6-7,10-11H2,1-2H3,(H2,26,27)
InChIKeyGIJYAZLJRJZXNE-UHFFFAOYSA-N
XLogP4.44
TPSA108.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.61
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide?
The IUPAC name of 4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide (CID 59133151) is 4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide?
The canonical SMILES for 4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide is CN(C)C(=O)N1CCC(c2nc(-c3cc4cccc(-c5nccs5)c4[nH]3)c3c(N)nccn23)CC1.
What is the InChIKey of 4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide?
The InChIKey is GIJYAZLJRJZXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8OS/c1-31(2)25(34)32-10-6-15(7-11-32)23-30-20(21-22(26)27-8-12-33(21)23)18-14-16-4-3-5-17(19(16)29-18)24-28-9-13-35-24/h3-5,8-9,12-15,29H,6-7,10-11H2,1-2H3,(H2,26,27).
What are the key properties of 4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide?
4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 486.61 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 59133151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).