N-(1,3-benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine

C24H23N5O3 — CID 45488297

IUPACN-(1,3-benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESc1cn2c(-c3ccc(N4CCOCC4)cc3)cnc2c(NCc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C24H23N5O3/c1-6-21-22(32-16-31-21)13-17(1)14-26-23-24-27-15-20(29(24)8-7-25-23)18-2-4-19(5-3-18)28-9-11-30-12-10-28/h1-8,13,15H,9-12,14,16H2,(H,25,26)
InChIKeyRHDCGVAREMUNJH-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.57
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine

N-(1,3-benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 45488297) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID45488297
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESc1cn2c(-c3ccc(N4CCOCC4)cc3)cnc2c(NCc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C24H23N5O3/c1-6-21-22(32-16-31-21)13-17(1)14-26-23-24-27-15-20(29(24)8-7-25-23)18-2-4-19(5-3-18)28-9-11-30-12-10-28/h1-8,13,15H,9-12,14,16H2,(H,25,26)
InChIKeyRHDCGVAREMUNJH-UHFFFAOYSA-N
XLogP3.57
TPSA73.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine (CID 45488297) is N-(1,3-benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine is c1cn2c(-c3ccc(N4CCOCC4)cc3)cnc2c(NCc2ccc3c(c2)OCO3)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is RHDCGVAREMUNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-6-21-22(32-16-31-21)13-17(1)14-26-23-24-27-15-20(29(24)8-7-25-23)18-2-4-19(5-3-18)28-9-11-30-12-10-28/h1-8,13,15H,9-12,14,16H2,(H,25,26).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
N-(1,3-benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 429.48 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-3-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 45488297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).