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

C30H32N8O — CID 86345486

IUPAC4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESc1ccc2nc(CCc3cn4c(-c5ccc(N6CCNCC6)nc5)cnc(N5CCOCC5)c4n3)ccc2c1
InChIInChI=1S/C30H32N8O/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/h1-7,10,19-21,31H,8-9,11-18H2
InChIKeyJZURCRSDBQSBPW-UHFFFAOYSA-N
MW520.64 g/mol
LogP3.37
Rot. Bonds6

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

4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 86345486) has the molecular formula C30H32N8O and a molecular weight of 520.64 g/mol. Its IUPAC name is 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID86345486
Molecular FormulaC30H32N8O
Molecular Weight520.64 g/mol
Exact Mass520.27
IUPAC Name4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESc1ccc2nc(CCc3cn4c(-c5ccc(N6CCNCC6)nc5)cnc(N5CCOCC5)c4n3)ccc2c1
InChIInChI=1S/C30H32N8O/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/h1-7,10,19-21,31H,8-9,11-18H2
InChIKeyJZURCRSDBQSBPW-UHFFFAOYSA-N
XLogP3.37
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.64
LogP ≤ 53.37
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-ylethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 86345486) is 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethyl)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-ylethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine is c1ccc2nc(CCc3cn4c(-c5ccc(N6CCNCC6)nc5)cnc(N5CCOCC5)c4n3)ccc2c1.
What is the InChIKey of 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is JZURCRSDBQSBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N8O/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/h1-7,10,19-21,31H,8-9,11-18H2.
What are the key properties of 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-(2-quinolin-2-ylethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 520.64 g/mol, XLogP of 3.37, 6 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-ylethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 86345486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).