3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine

C24H23F4N7O — CID 25207625

IUPAC3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCN1CCN(c2ccc(-c3cnc4c(Nc5cccc(OC(F)(F)C(F)F)c5)nccn34)cn2)CC1
InChIInChI=1S/C24H23F4N7O/c1-33-9-11-34(12-10-33)20-6-5-16(14-30-20)19-15-31-22-21(29-7-8-35(19)22)32-17-3-2-4-18(13-17)36-24(27,28)23(25)26/h2-8,13-15,23H,9-12H2,1H3,(H,29,32)
InChIKeyWPGUUDWNTBEVMB-UHFFFAOYSA-N
MW501.49 g/mol
LogP4.52
Rot. Bonds7

About 3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine

3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 25207625) has the molecular formula C24H23F4N7O and a molecular weight of 501.49 g/mol. Its IUPAC name is 3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID25207625
Molecular FormulaC24H23F4N7O
Molecular Weight501.49 g/mol
Exact Mass501.19
IUPAC Name3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCN1CCN(c2ccc(-c3cnc4c(Nc5cccc(OC(F)(F)C(F)F)c5)nccn34)cn2)CC1
InChIInChI=1S/C24H23F4N7O/c1-33-9-11-34(12-10-33)20-6-5-16(14-30-20)19-15-31-22-21(29-7-8-35(19)22)32-17-3-2-4-18(13-17)36-24(27,28)23(25)26/h2-8,13-15,23H,9-12H2,1H3,(H,29,32)
InChIKeyWPGUUDWNTBEVMB-UHFFFAOYSA-N
XLogP4.52
TPSA70.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.49
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine (CID 25207625) is 3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine is CN1CCN(c2ccc(-c3cnc4c(Nc5cccc(OC(F)(F)C(F)F)c5)nccn34)cn2)CC1.
What is the InChIKey of 3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is WPGUUDWNTBEVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F4N7O/c1-33-9-11-34(12-10-33)20-6-5-16(14-30-20)19-15-31-22-21(29-7-8-35(19)22)32-17-3-2-4-18(13-17)36-24(27,28)23(25)26/h2-8,13-15,23H,9-12H2,1H3,(H,29,32).
What are the key properties of 3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine?
3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 501.49 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 25207625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).