3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine

C17H16N6 — CID 16679257

IUPAC3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(-c3cc4cccnc4[nH]3)c12
InChIInChI=1S/C17H16N6/c18-15-14-13(12-9-11-5-2-6-20-16(11)21-12)22-17(10-3-1-4-10)23(14)8-7-19-15/h2,5-10H,1,3-4H2,(H2,18,19)(H,20,21)
InChIKeyWMVWYOOUSCWLPK-UHFFFAOYSA-N
MW304.36 g/mol
LogP3.12
Rot. Bonds2

About 3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine

3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 16679257) has the molecular formula C17H16N6 and a molecular weight of 304.36 g/mol. Its IUPAC name is 3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID16679257
Molecular FormulaC17H16N6
Molecular Weight304.36 g/mol
Exact Mass304.14
IUPAC Name3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESNc1nccn2c(C3CCC3)nc(-c3cc4cccnc4[nH]3)c12
InChIInChI=1S/C17H16N6/c18-15-14-13(12-9-11-5-2-6-20-16(11)21-12)22-17(10-3-1-4-10)23(14)8-7-19-15/h2,5-10H,1,3-4H2,(H2,18,19)(H,20,21)
InChIKeyWMVWYOOUSCWLPK-UHFFFAOYSA-N
XLogP3.12
TPSA84.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.36
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine (CID 16679257) is 3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine is Nc1nccn2c(C3CCC3)nc(-c3cc4cccnc4[nH]3)c12.
What is the InChIKey of 3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is WMVWYOOUSCWLPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6/c18-15-14-13(12-9-11-5-2-6-20-16(11)21-12)22-17(10-3-1-4-10)23(14)8-7-19-15/h2,5-10H,1,3-4H2,(H2,18,19)(H,20,21).
What are the key properties of 3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine?
3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 304.36 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 16679257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).