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

C25H25N5O — CID 139307786

IUPAC[4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(-c2cnc3cnc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)cn23)cc1
InChIInChI=1S/C25H25N5O/c1-18-3-5-20(6-4-18)23-15-27-24-16-26-22(17-30(23)24)19-7-9-21(10-8-19)25(31)29-13-11-28(2)12-14-29/h3-10,15-17H,11-14H2,1-2H3
InChIKeyAJSPQFHUVJMVLQ-UHFFFAOYSA-N
MW411.51 g/mol
LogP3.76
Rot. Bonds3

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

[4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 139307786) has the molecular formula C25H25N5O and a molecular weight of 411.51 g/mol. Its IUPAC name is [4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID139307786
Molecular FormulaC25H25N5O
Molecular Weight411.51 g/mol
Exact Mass411.21
IUPAC Name[4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1ccc(-c2cnc3cnc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)cn23)cc1
InChIInChI=1S/C25H25N5O/c1-18-3-5-20(6-4-18)23-15-27-24-16-26-22(17-30(23)24)19-7-9-21(10-8-19)25(31)29-13-11-28(2)12-14-29/h3-10,15-17H,11-14H2,1-2H3
InChIKeyAJSPQFHUVJMVLQ-UHFFFAOYSA-N
XLogP3.76
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone (CID 139307786) is [4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone is Cc1ccc(-c2cnc3cnc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)cn23)cc1.
What is the InChIKey of [4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is AJSPQFHUVJMVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O/c1-18-3-5-20(6-4-18)23-15-27-24-16-26-22(17-30(23)24)19-7-9-21(10-8-19)25(31)29-13-11-28(2)12-14-29/h3-10,15-17H,11-14H2,1-2H3.
What are the key properties of [4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone?
[4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 411.51 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-methylphenyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 139307786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).