(4-methylpiperazin-1-yl)-[3-[6-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanone

C30H27N5O2 — CID 46948375

IUPAC(4-methylpiperazin-1-yl)-[3-[6-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanone
SMILESCN1CCN(C(=O)c2cccc(-c3cnc4cnc(-c5ccccc5Oc5ccccc5)cn34)c2)CC1
InChIInChI=1S/C30H27N5O2/c1-33-14-16-34(17-15-33)30(36)23-9-7-8-22(18-23)27-19-32-29-20-31-26(21-35(27)29)25-12-5-6-13-28(25)37-24-10-3-2-4-11-24/h2-13,18-21H,14-17H2,1H3
InChIKeyCBNJKNSIHIKOSE-UHFFFAOYSA-N
MW489.58 g/mol
LogP5.24
Rot. Bonds5

About (4-methylpiperazin-1-yl)-[3-[6-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanone

(4-methylpiperazin-1-yl)-[3-[6-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanone (PubChem CID 46948375) has the molecular formula C30H27N5O2 and a molecular weight of 489.58 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[3-[6-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[3-[6-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanone
PubChem CID46948375
Molecular FormulaC30H27N5O2
Molecular Weight489.58 g/mol
Exact Mass489.22
IUPAC Name(4-methylpiperazin-1-yl)-[3-[6-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanone
SMILESCN1CCN(C(=O)c2cccc(-c3cnc4cnc(-c5ccccc5Oc5ccccc5)cn34)c2)CC1
InChIInChI=1S/C30H27N5O2/c1-33-14-16-34(17-15-33)30(36)23-9-7-8-22(18-23)27-19-32-29-20-31-26(21-35(27)29)25-12-5-6-13-28(25)37-24-10-3-2-4-11-24/h2-13,18-21H,14-17H2,1H3
InChIKeyCBNJKNSIHIKOSE-UHFFFAOYSA-N
XLogP5.24
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.58
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[3-[6-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[3-[6-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanone (CID 46948375) is (4-methylpiperazin-1-yl)-[3-[6-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[3-[6-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[3-[6-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanone is CN1CCN(C(=O)c2cccc(-c3cnc4cnc(-c5ccccc5Oc5ccccc5)cn34)c2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[3-[6-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanone?
The InChIKey is CBNJKNSIHIKOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O2/c1-33-14-16-34(17-15-33)30(36)23-9-7-8-22(18-23)27-19-32-29-20-31-26(21-35(27)29)25-12-5-6-13-28(25)37-24-10-3-2-4-11-24/h2-13,18-21H,14-17H2,1H3.
What are the key properties of (4-methylpiperazin-1-yl)-[3-[6-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanone?
(4-methylpiperazin-1-yl)-[3-[6-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanone has a molecular weight of 489.58 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[3-[6-(2-phenoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]methanone is sourced from PubChem (CID 46948375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).