3-piperidin-4-yl-1-(2-pyridin-3-ylethynyl)imidazo[1,5-a]pyrazin-8-amine;hydrochloride

C18H19ClN6 — CID 68712079

IUPAC3-piperidin-4-yl-1-(2-pyridin-3-ylethynyl)imidazo[1,5-a]pyrazin-8-amine;hydrochloride
SMILESCl.Nc1nccn2c(C3CCNCC3)nc(C#Cc3cccnc3)c12
InChIInChI=1S/C18H18N6.ClH/c19-17-16-15(4-3-13-2-1-7-21-12-13)23-18(24(16)11-10-22-17)14-5-8-20-9-6-14;/h1-2,7,10-12,14,20H,5-6,8-9H2,(H2,19,22);1H
InChIKeyAVYXOPPWZHPYKP-UHFFFAOYSA-N
MW354.85 g/mol
LogP2.00
Rot. Bonds1

About 3-piperidin-4-yl-1-(2-pyridin-3-ylethynyl)imidazo[1,5-a]pyrazin-8-amine;hydrochloride

3-piperidin-4-yl-1-(2-pyridin-3-ylethynyl)imidazo[1,5-a]pyrazin-8-amine;hydrochloride (PubChem CID 68712079) has the molecular formula C18H19ClN6 and a molecular weight of 354.85 g/mol. Its IUPAC name is 3-piperidin-4-yl-1-(2-pyridin-3-ylethynyl)imidazo[1,5-a]pyrazin-8-amine;hydrochloride.

Molecular Properties

Compound Name3-piperidin-4-yl-1-(2-pyridin-3-ylethynyl)imidazo[1,5-a]pyrazin-8-amine;hydrochloride
PubChem CID68712079
Molecular FormulaC18H19ClN6
Molecular Weight354.85 g/mol
Exact Mass354.14
IUPAC Name3-piperidin-4-yl-1-(2-pyridin-3-ylethynyl)imidazo[1,5-a]pyrazin-8-amine;hydrochloride
SMILESCl.Nc1nccn2c(C3CCNCC3)nc(C#Cc3cccnc3)c12
InChIInChI=1S/C18H18N6.ClH/c19-17-16-15(4-3-13-2-1-7-21-12-13)23-18(24(16)11-10-22-17)14-5-8-20-9-6-14;/h1-2,7,10-12,14,20H,5-6,8-9H2,(H2,19,22);1H
InChIKeyAVYXOPPWZHPYKP-UHFFFAOYSA-N
XLogP2.00
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.85
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-4-yl-1-(2-pyridin-3-ylethynyl)imidazo[1,5-a]pyrazin-8-amine;hydrochloride?
The IUPAC name of 3-piperidin-4-yl-1-(2-pyridin-3-ylethynyl)imidazo[1,5-a]pyrazin-8-amine;hydrochloride (CID 68712079) is 3-piperidin-4-yl-1-(2-pyridin-3-ylethynyl)imidazo[1,5-a]pyrazin-8-amine;hydrochloride.
What is the SMILES notation for 3-piperidin-4-yl-1-(2-pyridin-3-ylethynyl)imidazo[1,5-a]pyrazin-8-amine;hydrochloride?
The canonical SMILES for 3-piperidin-4-yl-1-(2-pyridin-3-ylethynyl)imidazo[1,5-a]pyrazin-8-amine;hydrochloride is Cl.Nc1nccn2c(C3CCNCC3)nc(C#Cc3cccnc3)c12.
What is the InChIKey of 3-piperidin-4-yl-1-(2-pyridin-3-ylethynyl)imidazo[1,5-a]pyrazin-8-amine;hydrochloride?
The InChIKey is AVYXOPPWZHPYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6.ClH/c19-17-16-15(4-3-13-2-1-7-21-12-13)23-18(24(16)11-10-22-17)14-5-8-20-9-6-14;/h1-2,7,10-12,14,20H,5-6,8-9H2,(H2,19,22);1H.
What are the key properties of 3-piperidin-4-yl-1-(2-pyridin-3-ylethynyl)imidazo[1,5-a]pyrazin-8-amine;hydrochloride?
3-piperidin-4-yl-1-(2-pyridin-3-ylethynyl)imidazo[1,5-a]pyrazin-8-amine;hydrochloride has a molecular weight of 354.85 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-4-yl-1-(2-pyridin-3-ylethynyl)imidazo[1,5-a]pyrazin-8-amine;hydrochloride is sourced from PubChem (CID 68712079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).