5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol

C23H26FN7O2 — CID 58876748

IUPAC5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol
SMILESCCCc1ccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc1O
InChIInChI=1S/C23H26FN7O2/c1-2-3-16-4-5-17(12-21(16)32)28-19-7-6-18(25-13-19)14-27-30-23-26-15-20(24)22(29-23)31-8-10-33-11-9-31/h4-7,12-15,28,32H,2-3,8-11H2,1H3,(H,26,29,30)/b27-14+
InChIKeyOIZPPXBDKDPZCQ-MZJWZYIUSA-N
MW451.51 g/mol
LogP3.69
Rot. Bonds8

About 5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol

5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol (PubChem CID 58876748) has the molecular formula C23H26FN7O2 and a molecular weight of 451.51 g/mol. Its IUPAC name is 5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol.

Molecular Properties

Compound Name5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol
PubChem CID58876748
Molecular FormulaC23H26FN7O2
Molecular Weight451.51 g/mol
Exact Mass451.21
IUPAC Name5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol
SMILESCCCc1ccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc1O
InChIInChI=1S/C23H26FN7O2/c1-2-3-16-4-5-17(12-21(16)32)28-19-7-6-18(25-13-19)14-27-30-23-26-15-20(24)22(29-23)31-8-10-33-11-9-31/h4-7,12-15,28,32H,2-3,8-11H2,1H3,(H,26,29,30)/b27-14+
InChIKeyOIZPPXBDKDPZCQ-MZJWZYIUSA-N
XLogP3.69
TPSA107.79 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.51
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'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 5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol?
The IUPAC name of 5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol (CID 58876748) is 5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol.
What is the SMILES notation for 5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol?
The canonical SMILES for 5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol is CCCc1ccc(Nc2ccc(/C=N/Nc3ncc(F)c(N4CCOCC4)n3)nc2)cc1O.
What is the InChIKey of 5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol?
The InChIKey is OIZPPXBDKDPZCQ-MZJWZYIUSA-N. The full InChI is InChI=1S/C23H26FN7O2/c1-2-3-16-4-5-17(12-21(16)32)28-19-7-6-18(25-13-19)14-27-30-23-26-15-20(24)22(29-23)31-8-10-33-11-9-31/h4-7,12-15,28,32H,2-3,8-11H2,1H3,(H,26,29,30)/b27-14+.
What are the key properties of 5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol?
5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol has a molecular weight of 451.51 g/mol, XLogP of 3.69, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-[(E)-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)hydrazinylidene]methyl]-3-pyridinyl]amino]-2-propylphenol is sourced from PubChem (CID 58876748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).