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

C28H26N6O — CID 126672970

IUPAC6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazine
SMILESCN1CCN(c2ccc(-c3cn4c(-c5ccc(Oc6ccccc6)cc5)cnc4cn3)cn2)CC1
InChIInChI=1S/C28H26N6O/c1-32-13-15-33(16-14-32)27-12-9-22(17-30-27)25-20-34-26(18-31-28(34)19-29-25)21-7-10-24(11-8-21)35-23-5-3-2-4-6-23/h2-12,17-20H,13-16H2,1H3
InChIKeyOFGIJWLADFHDFJ-UHFFFAOYSA-N
MW462.56 g/mol
LogP5.00
Rot. Bonds5

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

6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazine (PubChem CID 126672970) has the molecular formula C28H26N6O and a molecular weight of 462.56 g/mol. Its IUPAC name is 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazine
PubChem CID126672970
Molecular FormulaC28H26N6O
Molecular Weight462.56 g/mol
Exact Mass462.22
IUPAC Name6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazine
SMILESCN1CCN(c2ccc(-c3cn4c(-c5ccc(Oc6ccccc6)cc5)cnc4cn3)cn2)CC1
InChIInChI=1S/C28H26N6O/c1-32-13-15-33(16-14-32)27-12-9-22(17-30-27)25-20-34-26(18-31-28(34)19-29-25)21-7-10-24(11-8-21)35-23-5-3-2-4-6-23/h2-12,17-20H,13-16H2,1H3
InChIKeyOFGIJWLADFHDFJ-UHFFFAOYSA-N
XLogP5.00
TPSA58.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.56
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazine (CID 126672970) is 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazine is CN1CCN(c2ccc(-c3cn4c(-c5ccc(Oc6ccccc6)cc5)cnc4cn3)cn2)CC1.
What is the InChIKey of 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazine?
The InChIKey is OFGIJWLADFHDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6O/c1-32-13-15-33(16-14-32)27-12-9-22(17-30-27)25-20-34-26(18-31-28(34)19-29-25)21-7-10-24(11-8-21)35-23-5-3-2-4-6-23/h2-12,17-20H,13-16H2,1H3.
What are the key properties of 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazine?
6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazine has a molecular weight of 462.56 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(4-phenoxyphenyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 126672970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).