3-tert-butyl-1-(1-methylindol-5-yl)imidazo[1,5-a]pyrazin-8-amine

C19H21N5 — CID 71207842

IUPAC3-tert-butyl-1-(1-methylindol-5-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCn1ccc2cc(-c3nc(C(C)(C)C)n4ccnc(N)c34)ccc21
InChIInChI=1S/C19H21N5/c1-19(2,3)18-22-15(16-17(20)21-8-10-24(16)18)13-5-6-14-12(11-13)7-9-23(14)4/h5-11H,1-4H3,(H2,20,21)
InChIKeyCSXUIGRDFNAIAL-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.77
Rot. Bonds1

About 3-tert-butyl-1-(1-methylindol-5-yl)imidazo[1,5-a]pyrazin-8-amine

3-tert-butyl-1-(1-methylindol-5-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 71207842) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is 3-tert-butyl-1-(1-methylindol-5-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-tert-butyl-1-(1-methylindol-5-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID71207842
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Name3-tert-butyl-1-(1-methylindol-5-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCn1ccc2cc(-c3nc(C(C)(C)C)n4ccnc(N)c34)ccc21
InChIInChI=1S/C19H21N5/c1-19(2,3)18-22-15(16-17(20)21-8-10-24(16)18)13-5-6-14-12(11-13)7-9-23(14)4/h5-11H,1-4H3,(H2,20,21)
InChIKeyCSXUIGRDFNAIAL-UHFFFAOYSA-N
XLogP3.77
TPSA61.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(1-methylindol-5-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-tert-butyl-1-(1-methylindol-5-yl)imidazo[1,5-a]pyrazin-8-amine (CID 71207842) is 3-tert-butyl-1-(1-methylindol-5-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-tert-butyl-1-(1-methylindol-5-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-tert-butyl-1-(1-methylindol-5-yl)imidazo[1,5-a]pyrazin-8-amine is Cn1ccc2cc(-c3nc(C(C)(C)C)n4ccnc(N)c34)ccc21.
What is the InChIKey of 3-tert-butyl-1-(1-methylindol-5-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is CSXUIGRDFNAIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5/c1-19(2,3)18-22-15(16-17(20)21-8-10-24(16)18)13-5-6-14-12(11-13)7-9-23(14)4/h5-11H,1-4H3,(H2,20,21).
What are the key properties of 3-tert-butyl-1-(1-methylindol-5-yl)imidazo[1,5-a]pyrazin-8-amine?
3-tert-butyl-1-(1-methylindol-5-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 319.41 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(1-methylindol-5-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 71207842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).