1-[5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxypyrimidin-4-yl]-1-(5-piperazin-1-yl-2-pyridinyl)hydrazine

C23H24F2N8O — CID 122520602

IUPAC1-[5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxypyrimidin-4-yl]-1-(5-piperazin-1-yl-2-pyridinyl)hydrazine
SMILESCc1cc2c(F)c(Oc3ncnc(N(N)c4ccc(N5CCNCC5)cn4)c3F)ccc2n1C
InChIInChI=1S/C23H24F2N8O/c1-14-11-16-17(31(14)2)4-5-18(20(16)24)34-23-21(25)22(29-13-30-23)33(26)19-6-3-15(12-28-19)32-9-7-27-8-10-32/h3-6,11-13,27H,7-10,26H2,1-2H3
InChIKeyANIOHBIFOPKFAR-UHFFFAOYSA-N
MW466.50 g/mol
LogP3.16
Rot. Bonds5

About 1-[5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxypyrimidin-4-yl]-1-(5-piperazin-1-yl-2-pyridinyl)hydrazine

1-[5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxypyrimidin-4-yl]-1-(5-piperazin-1-yl-2-pyridinyl)hydrazine (PubChem CID 122520602) has the molecular formula C23H24F2N8O and a molecular weight of 466.50 g/mol. Its IUPAC name is 1-[5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxypyrimidin-4-yl]-1-(5-piperazin-1-yl-2-pyridinyl)hydrazine.

Molecular Properties

Compound Name1-[5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxypyrimidin-4-yl]-1-(5-piperazin-1-yl-2-pyridinyl)hydrazine
PubChem CID122520602
Molecular FormulaC23H24F2N8O
Molecular Weight466.50 g/mol
Exact Mass466.20
IUPAC Name1-[5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxypyrimidin-4-yl]-1-(5-piperazin-1-yl-2-pyridinyl)hydrazine
SMILESCc1cc2c(F)c(Oc3ncnc(N(N)c4ccc(N5CCNCC5)cn4)c3F)ccc2n1C
InChIInChI=1S/C23H24F2N8O/c1-14-11-16-17(31(14)2)4-5-18(20(16)24)34-23-21(25)22(29-13-30-23)33(26)19-6-3-15(12-28-19)32-9-7-27-8-10-32/h3-6,11-13,27H,7-10,26H2,1-2H3
InChIKeyANIOHBIFOPKFAR-UHFFFAOYSA-N
XLogP3.16
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.50
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-[5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxypyrimidin-4-yl]-1-(5-piperazin-1-yl-2-pyridinyl)hydrazine?
The IUPAC name of 1-[5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxypyrimidin-4-yl]-1-(5-piperazin-1-yl-2-pyridinyl)hydrazine (CID 122520602) is 1-[5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxypyrimidin-4-yl]-1-(5-piperazin-1-yl-2-pyridinyl)hydrazine.
What is the SMILES notation for 1-[5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxypyrimidin-4-yl]-1-(5-piperazin-1-yl-2-pyridinyl)hydrazine?
The canonical SMILES for 1-[5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxypyrimidin-4-yl]-1-(5-piperazin-1-yl-2-pyridinyl)hydrazine is Cc1cc2c(F)c(Oc3ncnc(N(N)c4ccc(N5CCNCC5)cn4)c3F)ccc2n1C.
What is the InChIKey of 1-[5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxypyrimidin-4-yl]-1-(5-piperazin-1-yl-2-pyridinyl)hydrazine?
The InChIKey is ANIOHBIFOPKFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N8O/c1-14-11-16-17(31(14)2)4-5-18(20(16)24)34-23-21(25)22(29-13-30-23)33(26)19-6-3-15(12-28-19)32-9-7-27-8-10-32/h3-6,11-13,27H,7-10,26H2,1-2H3.
What are the key properties of 1-[5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxypyrimidin-4-yl]-1-(5-piperazin-1-yl-2-pyridinyl)hydrazine?
1-[5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxypyrimidin-4-yl]-1-(5-piperazin-1-yl-2-pyridinyl)hydrazine has a molecular weight of 466.50 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-6-(4-fluoro-1,2-dimethylindol-5-yl)oxypyrimidin-4-yl]-1-(5-piperazin-1-yl-2-pyridinyl)hydrazine is sourced from PubChem (CID 122520602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).