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

C31H28N8O2 — CID 123133247

IUPAC2-[[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline
SMILESCOc1cc(-c2ncc(-c3ccc(N4CCNCC4)nc3)n3cc(COc4ccc5ccccc5n4)nc23)ccn1
InChIInChI=1S/C31H28N8O2/c1-40-29-16-22(10-11-33-29)30-31-36-24(20-41-28-9-7-21-4-2-3-5-25(21)37-28)19-39(31)26(18-35-30)23-6-8-27(34-17-23)38-14-12-32-13-15-38/h2-11,16-19,32H,12-15,20H2,1H3
InChIKeyCFBUUPNAUQLFCA-UHFFFAOYSA-N
MW544.62 g/mol
LogP4.40
Rot. Bonds7

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

2-[[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline (PubChem CID 123133247) has the molecular formula C31H28N8O2 and a molecular weight of 544.62 g/mol. Its IUPAC name is 2-[[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline.

Molecular Properties

Compound Name2-[[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline
PubChem CID123133247
Molecular FormulaC31H28N8O2
Molecular Weight544.62 g/mol
Exact Mass544.23
IUPAC Name2-[[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline
SMILESCOc1cc(-c2ncc(-c3ccc(N4CCNCC4)nc3)n3cc(COc4ccc5ccccc5n4)nc23)ccn1
InChIInChI=1S/C31H28N8O2/c1-40-29-16-22(10-11-33-29)30-31-36-24(20-41-28-9-7-21-4-2-3-5-25(21)37-28)19-39(31)26(18-35-30)23-6-8-27(34-17-23)38-14-12-32-13-15-38/h2-11,16-19,32H,12-15,20H2,1H3
InChIKeyCFBUUPNAUQLFCA-UHFFFAOYSA-N
XLogP4.40
TPSA102.59 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.62
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-[[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline?
The IUPAC name of 2-[[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline (CID 123133247) is 2-[[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline.
What is the SMILES notation for 2-[[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline?
The canonical SMILES for 2-[[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline is COc1cc(-c2ncc(-c3ccc(N4CCNCC4)nc3)n3cc(COc4ccc5ccccc5n4)nc23)ccn1.
What is the InChIKey of 2-[[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline?
The InChIKey is CFBUUPNAUQLFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N8O2/c1-40-29-16-22(10-11-33-29)30-31-36-24(20-41-28-9-7-21-4-2-3-5-25(21)37-28)19-39(31)26(18-35-30)23-6-8-27(34-17-23)38-14-12-32-13-15-38/h2-11,16-19,32H,12-15,20H2,1H3.
What are the key properties of 2-[[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline?
2-[[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline has a molecular weight of 544.62 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-(2-methoxy-4-pyridinyl)-5-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-2-yl]methoxy]quinoline is sourced from PubChem (CID 123133247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).