4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine

C30H30N8O — CID 123392808

IUPAC4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESC(=Cc1cn2c(-c3ccc(N4CCNCC4)nc3)cnc(N3CCOCC3)c2n1)c1ccc2ccccc2n1
InChIInChI=1S/C30H30N8O/c1-2-4-26-22(3-1)5-7-24(34-26)8-9-25-21-38-27(20-33-29(30(38)35-25)37-15-17-39-18-16-37)23-6-10-28(32-19-23)36-13-11-31-12-14-36/h1-10,19-21,31H,11-18H2
InChIKeyDBHZLNIOLBLBCE-UHFFFAOYSA-N
MW518.63 g/mol
LogP3.76
Rot. Bonds5

About 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine

4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 123392808) has the molecular formula C30H30N8O and a molecular weight of 518.63 g/mol. Its IUPAC name is 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID123392808
Molecular FormulaC30H30N8O
Molecular Weight518.63 g/mol
Exact Mass518.25
IUPAC Name4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESC(=Cc1cn2c(-c3ccc(N4CCNCC4)nc3)cnc(N3CCOCC3)c2n1)c1ccc2ccccc2n1
InChIInChI=1S/C30H30N8O/c1-2-4-26-22(3-1)5-7-24(34-26)8-9-25-21-38-27(20-33-29(30(38)35-25)37-15-17-39-18-16-37)23-6-10-28(32-19-23)36-13-11-31-12-14-36/h1-10,19-21,31H,11-18H2
InChIKeyDBHZLNIOLBLBCE-UHFFFAOYSA-N
XLogP3.76
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.63
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 123392808) is 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine is C(=Cc1cn2c(-c3ccc(N4CCNCC4)nc3)cnc(N3CCOCC3)c2n1)c1ccc2ccccc2n1.
What is the InChIKey of 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is DBHZLNIOLBLBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N8O/c1-2-4-26-22(3-1)5-7-24(34-26)8-9-25-21-38-27(20-33-29(30(38)35-25)37-15-17-39-18-16-37)23-6-10-28(32-19-23)36-13-11-31-12-14-36/h1-10,19-21,31H,11-18H2.
What are the key properties of 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 518.63 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethenyl)imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 123392808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).