(4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone

C21H23F3N6O — CID 155686481

IUPAC(4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone
SMILESC[C@@H](Nc1nccn2cc(C(=O)N3CCN(C)CC3)nc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H23F3N6O/c1-14(15-4-3-5-16(12-15)21(22,23)24)26-18-19-27-17(13-30(19)7-6-25-18)20(31)29-10-8-28(2)9-11-29/h3-7,12-14H,8-11H2,1-2H3,(H,25,26)/t14-/m1/s1
InChIKeySFFUNSVLGVWDOX-CQSZACIVSA-N
MW432.45 g/mol
LogP3.31
Rot. Bonds4

About (4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone

(4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone (PubChem CID 155686481) has the molecular formula C21H23F3N6O and a molecular weight of 432.45 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone
PubChem CID155686481
Molecular FormulaC21H23F3N6O
Molecular Weight432.45 g/mol
Exact Mass432.19
IUPAC Name(4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone
SMILESC[C@@H](Nc1nccn2cc(C(=O)N3CCN(C)CC3)nc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H23F3N6O/c1-14(15-4-3-5-16(12-15)21(22,23)24)26-18-19-27-17(13-30(19)7-6-25-18)20(31)29-10-8-28(2)9-11-29/h3-7,12-14H,8-11H2,1-2H3,(H,25,26)/t14-/m1/s1
InChIKeySFFUNSVLGVWDOX-CQSZACIVSA-N
XLogP3.31
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone (CID 155686481) is (4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone is C[C@@H](Nc1nccn2cc(C(=O)N3CCN(C)CC3)nc12)c1cccc(C(F)(F)F)c1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone?
The InChIKey is SFFUNSVLGVWDOX-CQSZACIVSA-N. The full InChI is InChI=1S/C21H23F3N6O/c1-14(15-4-3-5-16(12-15)21(22,23)24)26-18-19-27-17(13-30(19)7-6-25-18)20(31)29-10-8-28(2)9-11-29/h3-7,12-14H,8-11H2,1-2H3,(H,25,26)/t14-/m1/s1.
What are the key properties of (4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone?
(4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone has a molecular weight of 432.45 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[8-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]imidazo[1,2-a]pyrazin-2-yl]methanone is sourced from PubChem (CID 155686481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).