3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]phenol

C22H22N6O — CID 126672869

IUPAC3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCN1CCN(c2ccc(-c3cn4c(-c5cccc(O)c5)cnc4cn3)cn2)CC1
InChIInChI=1S/C22H22N6O/c1-26-7-9-27(10-8-26)21-6-5-17(12-24-21)19-15-28-20(13-25-22(28)14-23-19)16-3-2-4-18(29)11-16/h2-6,11-15,29H,7-10H2,1H3
InChIKeyJZWJSJJCRBGBLJ-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.92
Rot. Bonds3

About 3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]phenol

3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 126672869) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID126672869
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCN1CCN(c2ccc(-c3cn4c(-c5cccc(O)c5)cnc4cn3)cn2)CC1
InChIInChI=1S/C22H22N6O/c1-26-7-9-27(10-8-26)21-6-5-17(12-24-21)19-15-28-20(13-25-22(28)14-23-19)16-3-2-4-18(29)11-16/h2-6,11-15,29H,7-10H2,1H3
InChIKeyJZWJSJJCRBGBLJ-UHFFFAOYSA-N
XLogP2.92
TPSA69.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]phenol (CID 126672869) is 3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]phenol is CN1CCN(c2ccc(-c3cn4c(-c5cccc(O)c5)cnc4cn3)cn2)CC1.
What is the InChIKey of 3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is JZWJSJJCRBGBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-26-7-9-27(10-8-26)21-6-5-17(12-24-21)19-15-28-20(13-25-22(28)14-23-19)16-3-2-4-18(29)11-16/h2-6,11-15,29H,7-10H2,1H3.
What are the key properties of 3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 386.46 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 126672869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).