[4-(1-methylpyrazol-4-yl)-2-[1-[6-(1-oxa-8-azaspiro[3.5]nonan-8-yl)pyrimidin-4-yl]ethenyl]phenyl]hydrazine

C23H27N7O — CID 90400166

IUPAC[4-(1-methylpyrazol-4-yl)-2-[1-[6-(1-oxa-8-azaspiro[3.5]nonan-8-yl)pyrimidin-4-yl]ethenyl]phenyl]hydrazine
SMILESC=C(c1cc(N2CCCC3(CCO3)C2)ncn1)c1cc(-c2cnn(C)c2)ccc1NN
InChIInChI=1S/C23H27N7O/c1-16(19-10-17(4-5-20(19)28-24)18-12-27-29(2)13-18)21-11-22(26-15-25-21)30-8-3-6-23(14-30)7-9-31-23/h4-5,10-13,15,28H,1,3,6-9,14,24H2,2H3
InChIKeyLTTSKLUKPMZULK-UHFFFAOYSA-N
MW417.52 g/mol
LogP2.98
Rot. Bonds5

About [4-(1-methylpyrazol-4-yl)-2-[1-[6-(1-oxa-8-azaspiro[3.5]nonan-8-yl)pyrimidin-4-yl]ethenyl]phenyl]hydrazine

[4-(1-methylpyrazol-4-yl)-2-[1-[6-(1-oxa-8-azaspiro[3.5]nonan-8-yl)pyrimidin-4-yl]ethenyl]phenyl]hydrazine (PubChem CID 90400166) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is [4-(1-methylpyrazol-4-yl)-2-[1-[6-(1-oxa-8-azaspiro[3.5]nonan-8-yl)pyrimidin-4-yl]ethenyl]phenyl]hydrazine.

Molecular Properties

Compound Name[4-(1-methylpyrazol-4-yl)-2-[1-[6-(1-oxa-8-azaspiro[3.5]nonan-8-yl)pyrimidin-4-yl]ethenyl]phenyl]hydrazine
PubChem CID90400166
Molecular FormulaC23H27N7O
Molecular Weight417.52 g/mol
Exact Mass417.23
IUPAC Name[4-(1-methylpyrazol-4-yl)-2-[1-[6-(1-oxa-8-azaspiro[3.5]nonan-8-yl)pyrimidin-4-yl]ethenyl]phenyl]hydrazine
SMILESC=C(c1cc(N2CCCC3(CCO3)C2)ncn1)c1cc(-c2cnn(C)c2)ccc1NN
InChIInChI=1S/C23H27N7O/c1-16(19-10-17(4-5-20(19)28-24)18-12-27-29(2)13-18)21-11-22(26-15-25-21)30-8-3-6-23(14-30)7-9-31-23/h4-5,10-13,15,28H,1,3,6-9,14,24H2,2H3
InChIKeyLTTSKLUKPMZULK-UHFFFAOYSA-N
XLogP2.98
TPSA94.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.52
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 [4-(1-methylpyrazol-4-yl)-2-[1-[6-(1-oxa-8-azaspiro[3.5]nonan-8-yl)pyrimidin-4-yl]ethenyl]phenyl]hydrazine?
The IUPAC name of [4-(1-methylpyrazol-4-yl)-2-[1-[6-(1-oxa-8-azaspiro[3.5]nonan-8-yl)pyrimidin-4-yl]ethenyl]phenyl]hydrazine (CID 90400166) is [4-(1-methylpyrazol-4-yl)-2-[1-[6-(1-oxa-8-azaspiro[3.5]nonan-8-yl)pyrimidin-4-yl]ethenyl]phenyl]hydrazine.
What is the SMILES notation for [4-(1-methylpyrazol-4-yl)-2-[1-[6-(1-oxa-8-azaspiro[3.5]nonan-8-yl)pyrimidin-4-yl]ethenyl]phenyl]hydrazine?
The canonical SMILES for [4-(1-methylpyrazol-4-yl)-2-[1-[6-(1-oxa-8-azaspiro[3.5]nonan-8-yl)pyrimidin-4-yl]ethenyl]phenyl]hydrazine is C=C(c1cc(N2CCCC3(CCO3)C2)ncn1)c1cc(-c2cnn(C)c2)ccc1NN.
What is the InChIKey of [4-(1-methylpyrazol-4-yl)-2-[1-[6-(1-oxa-8-azaspiro[3.5]nonan-8-yl)pyrimidin-4-yl]ethenyl]phenyl]hydrazine?
The InChIKey is LTTSKLUKPMZULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-16(19-10-17(4-5-20(19)28-24)18-12-27-29(2)13-18)21-11-22(26-15-25-21)30-8-3-6-23(14-30)7-9-31-23/h4-5,10-13,15,28H,1,3,6-9,14,24H2,2H3.
What are the key properties of [4-(1-methylpyrazol-4-yl)-2-[1-[6-(1-oxa-8-azaspiro[3.5]nonan-8-yl)pyrimidin-4-yl]ethenyl]phenyl]hydrazine?
[4-(1-methylpyrazol-4-yl)-2-[1-[6-(1-oxa-8-azaspiro[3.5]nonan-8-yl)pyrimidin-4-yl]ethenyl]phenyl]hydrazine has a molecular weight of 417.52 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methylpyrazol-4-yl)-2-[1-[6-(1-oxa-8-azaspiro[3.5]nonan-8-yl)pyrimidin-4-yl]ethenyl]phenyl]hydrazine is sourced from PubChem (CID 90400166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).