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

C26H24F3N5O — CID 130331343

IUPAC(4-methylpiperazin-1-yl)-[3-methyl-4-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone
SMILESCc1cc(C(=O)N2CCN(C)CC2)ccc1-c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1
InChIInChI=1S/C26H24F3N5O/c1-17-13-19(25(35)33-11-9-32(2)10-12-33)5-8-21(17)22-16-34-23(14-31-24(34)15-30-22)18-3-6-20(7-4-18)26(27,28)29/h3-8,13-16H,9-12H2,1-2H3
InChIKeyNEIGPDWDDYNIQZ-UHFFFAOYSA-N
MW479.51 g/mol
LogP4.78
Rot. Bonds3

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

(4-methylpiperazin-1-yl)-[3-methyl-4-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone (PubChem CID 130331343) has the molecular formula C26H24F3N5O and a molecular weight of 479.51 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[3-methyl-4-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-[3-methyl-4-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone
PubChem CID130331343
Molecular FormulaC26H24F3N5O
Molecular Weight479.51 g/mol
Exact Mass479.19
IUPAC Name(4-methylpiperazin-1-yl)-[3-methyl-4-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone
SMILESCc1cc(C(=O)N2CCN(C)CC2)ccc1-c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1
InChIInChI=1S/C26H24F3N5O/c1-17-13-19(25(35)33-11-9-32(2)10-12-33)5-8-21(17)22-16-34-23(14-31-24(34)15-30-22)18-3-6-20(7-4-18)26(27,28)29/h3-8,13-16H,9-12H2,1-2H3
InChIKeyNEIGPDWDDYNIQZ-UHFFFAOYSA-N
XLogP4.78
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[3-methyl-4-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-[3-methyl-4-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone (CID 130331343) is (4-methylpiperazin-1-yl)-[3-methyl-4-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-[3-methyl-4-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-[3-methyl-4-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone is Cc1cc(C(=O)N2CCN(C)CC2)ccc1-c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1.
What is the InChIKey of (4-methylpiperazin-1-yl)-[3-methyl-4-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone?
The InChIKey is NEIGPDWDDYNIQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O/c1-17-13-19(25(35)33-11-9-32(2)10-12-33)5-8-21(17)22-16-34-23(14-31-24(34)15-30-22)18-3-6-20(7-4-18)26(27,28)29/h3-8,13-16H,9-12H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-[3-methyl-4-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone?
(4-methylpiperazin-1-yl)-[3-methyl-4-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone has a molecular weight of 479.51 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-[3-methyl-4-[3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone is sourced from PubChem (CID 130331343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).