N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-amine

C20H19ClN6 — CID 166884968

IUPACN-(1-azabicyclo[2.2.1]heptan-3-yl)-5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESClc1c(-c2c[nH]c3ccccc23)nc(NC2CN3CCC2C3)c2nccn12
InChIInChI=1S/C20H19ClN6/c21-18-17(14-9-23-15-4-2-1-3-13(14)15)25-19(20-22-6-8-27(18)20)24-16-11-26-7-5-12(16)10-26/h1-4,6,8-9,12,16,23H,5,7,10-11H2,(H,24,25)
InChIKeyNNMDZZNYNUDHHI-UHFFFAOYSA-N
MW378.87 g/mol
LogP3.65
Rot. Bonds3

About N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-amine

N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 166884968) has the molecular formula C20H19ClN6 and a molecular weight of 378.87 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.1]heptan-3-yl)-5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID166884968
Molecular FormulaC20H19ClN6
Molecular Weight378.87 g/mol
Exact Mass378.14
IUPAC NameN-(1-azabicyclo[2.2.1]heptan-3-yl)-5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-amine
SMILESClc1c(-c2c[nH]c3ccccc23)nc(NC2CN3CCC2C3)c2nccn12
InChIInChI=1S/C20H19ClN6/c21-18-17(14-9-23-15-4-2-1-3-13(14)15)25-19(20-22-6-8-27(18)20)24-16-11-26-7-5-12(16)10-26/h1-4,6,8-9,12,16,23H,5,7,10-11H2,(H,24,25)
InChIKeyNNMDZZNYNUDHHI-UHFFFAOYSA-N
XLogP3.65
TPSA61.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.87
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-amine (CID 166884968) is N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-amine is Clc1c(-c2c[nH]c3ccccc23)nc(NC2CN3CCC2C3)c2nccn12.
What is the InChIKey of N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is NNMDZZNYNUDHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6/c21-18-17(14-9-23-15-4-2-1-3-13(14)15)25-19(20-22-6-8-27(18)20)24-16-11-26-7-5-12(16)10-26/h1-4,6,8-9,12,16,23H,5,7,10-11H2,(H,24,25).
What are the key properties of N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-amine?
N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 378.87 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.1]heptan-3-yl)-5-chloro-6-(1H-indol-3-yl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 166884968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).