[5-[4-(1,3-diazinan-2-yl)piperidin-1-yl]-2-pyridinyl]methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene

C23H32FN9O — CID 91345812

IUPAC[5-[4-(1,3-diazinan-2-yl)piperidin-1-yl]-2-pyridinyl]methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene
SMILESFc1cnc(/N=N/Cc2ccc(N3CCC(C4NCCCN4)CC3)cn2)nc1N1CCOCC1
InChIInChI=1S/C23H32FN9O/c24-20-16-28-23(30-22(20)33-10-12-34-13-11-33)31-29-14-18-2-3-19(15-27-18)32-8-4-17(5-9-32)21-25-6-1-7-26-21/h2-3,15-17,21,25-26H,1,4-14H2/b31-29+
InChIKeyUBJPSQNEJFPOEO-OWWNRXNESA-N
MW469.57 g/mol
LogP2.26
Rot. Bonds6

About [5-[4-(1,3-diazinan-2-yl)piperidin-1-yl]-2-pyridinyl]methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene

[5-[4-(1,3-diazinan-2-yl)piperidin-1-yl]-2-pyridinyl]methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene (PubChem CID 91345812) has the molecular formula C23H32FN9O and a molecular weight of 469.57 g/mol. Its IUPAC name is [5-[4-(1,3-diazinan-2-yl)piperidin-1-yl]-2-pyridinyl]methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene.

Molecular Properties

Compound Name[5-[4-(1,3-diazinan-2-yl)piperidin-1-yl]-2-pyridinyl]methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene
PubChem CID91345812
Molecular FormulaC23H32FN9O
Molecular Weight469.57 g/mol
Exact Mass469.27
IUPAC Name[5-[4-(1,3-diazinan-2-yl)piperidin-1-yl]-2-pyridinyl]methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene
SMILESFc1cnc(/N=N/Cc2ccc(N3CCC(C4NCCCN4)CC3)cn2)nc1N1CCOCC1
InChIInChI=1S/C23H32FN9O/c24-20-16-28-23(30-22(20)33-10-12-34-13-11-33)31-29-14-18-2-3-19(15-27-18)32-8-4-17(5-9-32)21-25-6-1-7-26-21/h2-3,15-17,21,25-26H,1,4-14H2/b31-29+
InChIKeyUBJPSQNEJFPOEO-OWWNRXNESA-N
XLogP2.26
TPSA103.16 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.57
LogP ≤ 52.26
H-Bond Donors ≤ 52
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 [5-[4-(1,3-diazinan-2-yl)piperidin-1-yl]-2-pyridinyl]methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene?
The IUPAC name of [5-[4-(1,3-diazinan-2-yl)piperidin-1-yl]-2-pyridinyl]methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene (CID 91345812) is [5-[4-(1,3-diazinan-2-yl)piperidin-1-yl]-2-pyridinyl]methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene.
What is the SMILES notation for [5-[4-(1,3-diazinan-2-yl)piperidin-1-yl]-2-pyridinyl]methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene?
The canonical SMILES for [5-[4-(1,3-diazinan-2-yl)piperidin-1-yl]-2-pyridinyl]methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene is Fc1cnc(/N=N/Cc2ccc(N3CCC(C4NCCCN4)CC3)cn2)nc1N1CCOCC1.
What is the InChIKey of [5-[4-(1,3-diazinan-2-yl)piperidin-1-yl]-2-pyridinyl]methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene?
The InChIKey is UBJPSQNEJFPOEO-OWWNRXNESA-N. The full InChI is InChI=1S/C23H32FN9O/c24-20-16-28-23(30-22(20)33-10-12-34-13-11-33)31-29-14-18-2-3-19(15-27-18)32-8-4-17(5-9-32)21-25-6-1-7-26-21/h2-3,15-17,21,25-26H,1,4-14H2/b31-29+.
What are the key properties of [5-[4-(1,3-diazinan-2-yl)piperidin-1-yl]-2-pyridinyl]methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene?
[5-[4-(1,3-diazinan-2-yl)piperidin-1-yl]-2-pyridinyl]methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene has a molecular weight of 469.57 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(1,3-diazinan-2-yl)piperidin-1-yl]-2-pyridinyl]methyl-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazene is sourced from PubChem (CID 91345812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).