2-[(E)-2-[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]ethenyl]quinoline

C32H28N8O — CID 123133246

IUPAC2-[(E)-2-[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]ethenyl]quinoline
SMILESCOc1cc(-c2ncc(-c3ccc(N4CCNCC4)nc3)n3cc(/C=C/c4ccc5ccccc5n4)nc23)ccn1
InChIInChI=1S/C32H28N8O/c1-41-30-18-23(12-13-34-30)31-32-38-26(10-9-25-8-6-22-4-2-3-5-27(22)37-25)21-40(32)28(20-36-31)24-7-11-29(35-19-24)39-16-14-33-15-17-39/h2-13,18-21,33H,14-17H2,1H3/b10-9+
InChIKeyJHRLAACSDHVDEU-MDZDMXLPSA-N
MW540.63 g/mol
LogP4.99
Rot. Bonds6

About 2-[(E)-2-[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]ethenyl]quinoline

2-[(E)-2-[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]ethenyl]quinoline (PubChem CID 123133246) has the molecular formula C32H28N8O and a molecular weight of 540.63 g/mol. Its IUPAC name is 2-[(E)-2-[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]ethenyl]quinoline.

Molecular Properties

Compound Name2-[(E)-2-[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]ethenyl]quinoline
PubChem CID123133246
Molecular FormulaC32H28N8O
Molecular Weight540.63 g/mol
Exact Mass540.24
IUPAC Name2-[(E)-2-[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]ethenyl]quinoline
SMILESCOc1cc(-c2ncc(-c3ccc(N4CCNCC4)nc3)n3cc(/C=C/c4ccc5ccccc5n4)nc23)ccn1
InChIInChI=1S/C32H28N8O/c1-41-30-18-23(12-13-34-30)31-32-38-26(10-9-25-8-6-22-4-2-3-5-27(22)37-25)21-40(32)28(20-36-31)24-7-11-29(35-19-24)39-16-14-33-15-17-39/h2-13,18-21,33H,14-17H2,1H3/b10-9+
InChIKeyJHRLAACSDHVDEU-MDZDMXLPSA-N
XLogP4.99
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.63
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]ethenyl]quinoline?
The IUPAC name of 2-[(E)-2-[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]ethenyl]quinoline (CID 123133246) is 2-[(E)-2-[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]ethenyl]quinoline.
What is the SMILES notation for 2-[(E)-2-[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]ethenyl]quinoline?
The canonical SMILES for 2-[(E)-2-[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]ethenyl]quinoline is COc1cc(-c2ncc(-c3ccc(N4CCNCC4)nc3)n3cc(/C=C/c4ccc5ccccc5n4)nc23)ccn1.
What is the InChIKey of 2-[(E)-2-[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]ethenyl]quinoline?
The InChIKey is JHRLAACSDHVDEU-MDZDMXLPSA-N. The full InChI is InChI=1S/C32H28N8O/c1-41-30-18-23(12-13-34-30)31-32-38-26(10-9-25-8-6-22-4-2-3-5-27(22)37-25)21-40(32)28(20-36-31)24-7-11-29(35-19-24)39-16-14-33-15-17-39/h2-13,18-21,33H,14-17H2,1H3/b10-9+.
What are the key properties of 2-[(E)-2-[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]ethenyl]quinoline?
2-[(E)-2-[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]ethenyl]quinoline has a molecular weight of 540.63 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]ethenyl]quinoline is sourced from PubChem (CID 123133246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).