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

C30H32N8O2 — CID 123133254

IUPAC4-[5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCN1CCN(c2ccc(-c3cnc(N4CCOCC4)c4nc(COc5ccc6ccccc6n5)cn34)cn2)CC1
InChIInChI=1S/C30H32N8O2/c1-35-10-12-36(13-11-35)27-8-6-23(18-31-27)26-19-32-29(37-14-16-39-17-15-37)30-33-24(20-38(26)30)21-40-28-9-7-22-4-2-3-5-25(22)34-28/h2-9,18-20H,10-17,21H2,1H3
InChIKeyYVMZDDKBJCSQRB-UHFFFAOYSA-N
MW536.64 g/mol
LogP3.51
Rot. Bonds6

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

4-[5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine (PubChem CID 123133254) has the molecular formula C30H32N8O2 and a molecular weight of 536.64 g/mol. Its IUPAC name is 4-[5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine.

Molecular Properties

Compound Name4-[5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
PubChem CID123133254
Molecular FormulaC30H32N8O2
Molecular Weight536.64 g/mol
Exact Mass536.26
IUPAC Name4-[5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
SMILESCN1CCN(c2ccc(-c3cnc(N4CCOCC4)c4nc(COc5ccc6ccccc6n5)cn34)cn2)CC1
InChIInChI=1S/C30H32N8O2/c1-35-10-12-36(13-11-35)27-8-6-23(18-31-27)26-19-32-29(37-14-16-39-17-15-37)30-33-24(20-38(26)30)21-40-28-9-7-22-4-2-3-5-25(22)34-28/h2-9,18-20H,10-17,21H2,1H3
InChIKeyYVMZDDKBJCSQRB-UHFFFAOYSA-N
XLogP3.51
TPSA84.15 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.64
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The IUPAC name of 4-[5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine (CID 123133254) is 4-[5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine.
What is the SMILES notation for 4-[5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The canonical SMILES for 4-[5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine is CN1CCN(c2ccc(-c3cnc(N4CCOCC4)c4nc(COc5ccc6ccccc6n5)cn34)cn2)CC1.
What is the InChIKey of 4-[5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
The InChIKey is YVMZDDKBJCSQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N8O2/c1-35-10-12-36(13-11-35)27-8-6-23(18-31-27)26-19-32-29(37-14-16-39-17-15-37)30-33-24(20-38(26)30)21-40-28-9-7-22-4-2-3-5-25(22)34-28/h2-9,18-20H,10-17,21H2,1H3.
What are the key properties of 4-[5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine?
4-[5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine has a molecular weight of 536.64 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-(quinolin-2-yloxymethyl)imidazo[1,2-a]pyrazin-8-yl]morpholine is sourced from PubChem (CID 123133254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).