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

C29H29N9O — CID 123133251

IUPAC4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-quinazolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESC(=C/c1ncc2ccccc2n1)\c1cn2c(-c3ccc(N4CCNCC4)nc3)cnc(N3CCOCC3)c2n1
InChIInChI=1S/C29H29N9O/c1-2-4-24-21(3-1)17-31-26(35-24)7-6-23-20-38-25(19-33-28(29(38)34-23)37-13-15-39-16-14-37)22-5-8-27(32-18-22)36-11-9-30-10-12-36/h1-8,17-20,30H,9-16H2/b7-6+
InChIKeyOPCYKWHGLCZEEK-VOTSOKGWSA-N
MW519.61 g/mol
LogP3.15
Rot. Bonds5

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

4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-quinazolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 123133251) has the molecular formula C29H29N9O and a molecular weight of 519.61 g/mol. Its IUPAC name is 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-quinazolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-quinazolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID123133251
Molecular FormulaC29H29N9O
Molecular Weight519.61 g/mol
Exact Mass519.25
IUPAC Name4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-quinazolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESC(=C/c1ncc2ccccc2n1)\c1cn2c(-c3ccc(N4CCNCC4)nc3)cnc(N3CCOCC3)c2n1
InChIInChI=1S/C29H29N9O/c1-2-4-24-21(3-1)17-31-26(35-24)7-6-23-20-38-25(19-33-28(29(38)34-23)37-13-15-39-16-14-37)22-5-8-27(32-18-22)36-11-9-30-10-12-36/h1-8,17-20,30H,9-16H2/b7-6+
InChIKeyOPCYKWHGLCZEEK-VOTSOKGWSA-N
XLogP3.15
TPSA96.60 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.61
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-quinazolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-quinazolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-quinazolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 123133251) is 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-quinazolin-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-[(E)-2-quinazolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-quinazolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine is C(=C/c1ncc2ccccc2n1)\c1cn2c(-c3ccc(N4CCNCC4)nc3)cnc(N3CCOCC3)c2n1.
What is the InChIKey of 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-quinazolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is OPCYKWHGLCZEEK-VOTSOKGWSA-N. The full InChI is InChI=1S/C29H29N9O/c1-2-4-24-21(3-1)17-31-26(35-24)7-6-23-20-38-25(19-33-28(29(38)34-23)37-13-15-39-16-14-37)22-5-8-27(32-18-22)36-11-9-30-10-12-36/h1-8,17-20,30H,9-16H2/b7-6+.
What are the key properties of 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-quinazolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-quinazolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 519.61 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-piperazin-1-yl-3-pyridinyl)-2-[(E)-2-quinazolin-2-ylethenyl]imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 123133251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).