6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(4-pyrazol-1-ylphenyl)pyridin-3-amine

C23H22FN9O — CID 91294624

IUPAC6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(4-pyrazol-1-ylphenyl)pyridin-3-amine
SMILESFc1cnc(/N=N/Cc2ccc(Nc3ccc(-n4cccn4)cc3)cn2)nc1N1CCOCC1
InChIInChI=1S/C23H22FN9O/c24-21-16-26-23(30-22(21)32-10-12-34-13-11-32)31-27-15-18-2-3-19(14-25-18)29-17-4-6-20(7-5-17)33-9-1-8-28-33/h1-9,14,16,29H,10-13,15H2/b31-27+
InChIKeyYEKRBXXUPCQURJ-TVKQRKNISA-N
MW459.49 g/mol
LogP4.06
Rot. Bonds7

About 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(4-pyrazol-1-ylphenyl)pyridin-3-amine

6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(4-pyrazol-1-ylphenyl)pyridin-3-amine (PubChem CID 91294624) has the molecular formula C23H22FN9O and a molecular weight of 459.49 g/mol. Its IUPAC name is 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(4-pyrazol-1-ylphenyl)pyridin-3-amine.

Molecular Properties

Compound Name6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(4-pyrazol-1-ylphenyl)pyridin-3-amine
PubChem CID91294624
Molecular FormulaC23H22FN9O
Molecular Weight459.49 g/mol
Exact Mass459.19
IUPAC Name6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(4-pyrazol-1-ylphenyl)pyridin-3-amine
SMILESFc1cnc(/N=N/Cc2ccc(Nc3ccc(-n4cccn4)cc3)cn2)nc1N1CCOCC1
InChIInChI=1S/C23H22FN9O/c24-21-16-26-23(30-22(21)32-10-12-34-13-11-32)31-27-15-18-2-3-19(14-25-18)29-17-4-6-20(7-5-17)33-9-1-8-28-33/h1-9,14,16,29H,10-13,15H2/b31-27+
InChIKeyYEKRBXXUPCQURJ-TVKQRKNISA-N
XLogP4.06
TPSA105.71 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.49
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(4-pyrazol-1-ylphenyl)pyridin-3-amine?
The IUPAC name of 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(4-pyrazol-1-ylphenyl)pyridin-3-amine (CID 91294624) is 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(4-pyrazol-1-ylphenyl)pyridin-3-amine.
What is the SMILES notation for 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(4-pyrazol-1-ylphenyl)pyridin-3-amine?
The canonical SMILES for 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(4-pyrazol-1-ylphenyl)pyridin-3-amine is Fc1cnc(/N=N/Cc2ccc(Nc3ccc(-n4cccn4)cc3)cn2)nc1N1CCOCC1.
What is the InChIKey of 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(4-pyrazol-1-ylphenyl)pyridin-3-amine?
The InChIKey is YEKRBXXUPCQURJ-TVKQRKNISA-N. The full InChI is InChI=1S/C23H22FN9O/c24-21-16-26-23(30-22(21)32-10-12-34-13-11-32)31-27-15-18-2-3-19(14-25-18)29-17-4-6-20(7-5-17)33-9-1-8-28-33/h1-9,14,16,29H,10-13,15H2/b31-27+.
What are the key properties of 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(4-pyrazol-1-ylphenyl)pyridin-3-amine?
6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(4-pyrazol-1-ylphenyl)pyridin-3-amine has a molecular weight of 459.49 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]-N-(4-pyrazol-1-ylphenyl)pyridin-3-amine is sourced from PubChem (CID 91294624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).