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

C23H24N6O2 — CID 137001347

IUPAC2-methoxy-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCOc1cc(-c2cnc3cnc(-c4ccc(N5CCN(C)CC5)nc4)cn23)ccc1O
InChIInChI=1S/C23H24N6O2/c1-27-7-9-28(10-8-27)22-6-4-17(12-25-22)18-15-29-19(13-26-23(29)14-24-18)16-3-5-20(30)21(11-16)31-2/h3-6,11-15,30H,7-10H2,1-2H3
InChIKeyWUJLKBJQKIOKOT-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.92
Rot. Bonds4

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

2-methoxy-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 137001347) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 2-methoxy-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID137001347
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name2-methoxy-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCOc1cc(-c2cnc3cnc(-c4ccc(N5CCN(C)CC5)nc4)cn23)ccc1O
InChIInChI=1S/C23H24N6O2/c1-27-7-9-28(10-8-27)22-6-4-17(12-25-22)18-15-29-19(13-26-23(29)14-24-18)16-3-5-20(30)21(11-16)31-2/h3-6,11-15,30H,7-10H2,1-2H3
InChIKeyWUJLKBJQKIOKOT-UHFFFAOYSA-N
XLogP2.92
TPSA79.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 2-methoxy-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]phenol (CID 137001347) is 2-methoxy-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 2-methoxy-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 2-methoxy-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]phenol is COc1cc(-c2cnc3cnc(-c4ccc(N5CCN(C)CC5)nc4)cn23)ccc1O.
What is the InChIKey of 2-methoxy-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is WUJLKBJQKIOKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-27-7-9-28(10-8-27)22-6-4-17(12-25-22)18-15-29-19(13-26-23(29)14-24-18)16-3-5-20(30)21(11-16)31-2/h3-6,11-15,30H,7-10H2,1-2H3.
What are the key properties of 2-methoxy-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]phenol?
2-methoxy-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 416.49 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 137001347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).