1-[(2Z)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-hydrazinylidenepiperazin-1-yl]ethanone

C17H17F2N9O — CID 153330697

IUPAC1-[(2Z)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-hydrazinylidenepiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C/C1=N/N
InChIInChI=1S/C17H17F2N9O/c1-10(29)27-5-4-26(9-15(27)25-20)13-2-3-21-17(24-13)12-6-23-14-7-22-11(16(18)19)8-28(12)14/h2-3,6-8,16H,4-5,9,20H2,1H3/b25-15-
InChIKeyFPRAFLZRKJDENV-MYYYXRDXSA-N
MW401.38 g/mol
LogP1.06
Rot. Bonds3

About 1-[(2Z)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-hydrazinylidenepiperazin-1-yl]ethanone

1-[(2Z)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-hydrazinylidenepiperazin-1-yl]ethanone (PubChem CID 153330697) has the molecular formula C17H17F2N9O and a molecular weight of 401.38 g/mol. Its IUPAC name is 1-[(2Z)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-hydrazinylidenepiperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2Z)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-hydrazinylidenepiperazin-1-yl]ethanone
PubChem CID153330697
Molecular FormulaC17H17F2N9O
Molecular Weight401.38 g/mol
Exact Mass401.15
IUPAC Name1-[(2Z)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-hydrazinylidenepiperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C/C1=N/N
InChIInChI=1S/C17H17F2N9O/c1-10(29)27-5-4-26(9-15(27)25-20)13-2-3-21-17(24-13)12-6-23-14-7-22-11(16(18)19)8-28(12)14/h2-3,6-8,16H,4-5,9,20H2,1H3/b25-15-
InChIKeyFPRAFLZRKJDENV-MYYYXRDXSA-N
XLogP1.06
TPSA117.90 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2Z)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-hydrazinylidenepiperazin-1-yl]ethanone?
The IUPAC name of 1-[(2Z)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-hydrazinylidenepiperazin-1-yl]ethanone (CID 153330697) is 1-[(2Z)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-hydrazinylidenepiperazin-1-yl]ethanone.
What is the SMILES notation for 1-[(2Z)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-hydrazinylidenepiperazin-1-yl]ethanone?
The canonical SMILES for 1-[(2Z)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-hydrazinylidenepiperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)C/C1=N/N.
What is the InChIKey of 1-[(2Z)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-hydrazinylidenepiperazin-1-yl]ethanone?
The InChIKey is FPRAFLZRKJDENV-MYYYXRDXSA-N. The full InChI is InChI=1S/C17H17F2N9O/c1-10(29)27-5-4-26(9-15(27)25-20)13-2-3-21-17(24-13)12-6-23-14-7-22-11(16(18)19)8-28(12)14/h2-3,6-8,16H,4-5,9,20H2,1H3/b25-15-.
What are the key properties of 1-[(2Z)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-hydrazinylidenepiperazin-1-yl]ethanone?
1-[(2Z)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-hydrazinylidenepiperazin-1-yl]ethanone has a molecular weight of 401.38 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2Z)-4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2-hydrazinylidenepiperazin-1-yl]ethanone is sourced from PubChem (CID 153330697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).