N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-amine

C24H23N5O3 — CID 15991975

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-amine
SMILESc1cn2c(Nc3ccc4c(c3)OCCO4)c(-c3ccc(N4CCOCC4)cc3)nc2cn1
InChIInChI=1S/C24H23N5O3/c1-4-19(28-9-11-30-12-10-28)5-2-17(1)23-24(29-8-7-25-16-22(29)27-23)26-18-3-6-20-21(15-18)32-14-13-31-20/h1-8,15-16,26H,9-14H2
InChIKeyBPTOHTYWLVJMPK-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.75
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-amine (PubChem CID 15991975) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-amine
PubChem CID15991975
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-amine
SMILESc1cn2c(Nc3ccc4c(c3)OCCO4)c(-c3ccc(N4CCOCC4)cc3)nc2cn1
InChIInChI=1S/C24H23N5O3/c1-4-19(28-9-11-30-12-10-28)5-2-17(1)23-24(29-8-7-25-16-22(29)27-23)26-18-3-6-20-21(15-18)32-14-13-31-20/h1-8,15-16,26H,9-14H2
InChIKeyBPTOHTYWLVJMPK-UHFFFAOYSA-N
XLogP3.75
TPSA73.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-amine (CID 15991975) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-amine is c1cn2c(Nc3ccc4c(c3)OCCO4)c(-c3ccc(N4CCOCC4)cc3)nc2cn1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-amine?
The InChIKey is BPTOHTYWLVJMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-4-19(28-9-11-30-12-10-28)5-2-17(1)23-24(29-8-7-25-16-22(29)27-23)26-18-3-6-20-21(15-18)32-14-13-31-20/h1-8,15-16,26H,9-14H2.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 429.48 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 15991975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).