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

C26H27N7OS — CID 59133237

IUPAC4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide
SMILESCN(C)C(=O)C1CCC(c2nc(-c3cc4cccc(-c5nccs5)c4[nH]3)c3c(N)nccn23)CC1
InChIInChI=1S/C26H27N7OS/c1-32(2)26(34)16-8-6-15(7-9-16)24-31-21(22-23(27)28-10-12-33(22)24)19-14-17-4-3-5-18(20(17)30-19)25-29-11-13-35-25/h3-5,10-16,30H,6-9H2,1-2H3,(H2,27,28)
InChIKeyJQIKGAQIDOYVFB-UHFFFAOYSA-N
MW485.62 g/mol
LogP4.95
Rot. Bonds4

About 4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-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-dimethylcyclohexane-1-carboxamide (PubChem CID 59133237) has the molecular formula C26H27N7OS and a molecular weight of 485.62 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-dimethylcyclohexane-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-dimethylcyclohexane-1-carboxamide
PubChem CID59133237
Molecular FormulaC26H27N7OS
Molecular Weight485.62 g/mol
Exact Mass485.20
IUPAC Name4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide
SMILESCN(C)C(=O)C1CCC(c2nc(-c3cc4cccc(-c5nccs5)c4[nH]3)c3c(N)nccn23)CC1
InChIInChI=1S/C26H27N7OS/c1-32(2)26(34)16-8-6-15(7-9-16)24-31-21(22-23(27)28-10-12-33(22)24)19-14-17-4-3-5-18(20(17)30-19)25-29-11-13-35-25/h3-5,10-16,30H,6-9H2,1-2H3,(H2,27,28)
InChIKeyJQIKGAQIDOYVFB-UHFFFAOYSA-N
XLogP4.95
TPSA105.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.62
LogP ≤ 54.95
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-dimethylcyclohexane-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-dimethylcyclohexane-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-dimethylcyclohexane-1-carboxamide (CID 59133237) is 4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-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-dimethylcyclohexane-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-dimethylcyclohexane-1-carboxamide is CN(C)C(=O)C1CCC(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-dimethylcyclohexane-1-carboxamide?
The InChIKey is JQIKGAQIDOYVFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7OS/c1-32(2)26(34)16-8-6-15(7-9-16)24-31-21(22-23(27)28-10-12-33(22)24)19-14-17-4-3-5-18(20(17)30-19)25-29-11-13-35-25/h3-5,10-16,30H,6-9H2,1-2H3,(H2,27,28).
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-dimethylcyclohexane-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-dimethylcyclohexane-1-carboxamide has a molecular weight of 485.62 g/mol, XLogP of 4.95, 4 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-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 59133237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).