1-cyclohexyl-5H-pyrazolo[5,4-b]pyridin-4-one;phosphoryl trichloride

C12H15Cl3N3O2P — CID 123257757

IUPAC1-cyclohexyl-5H-pyrazolo[5,4-b]pyridin-4-one;phosphoryl trichloride
SMILESO=C1CC=Nc2c1cnn2C1CCCCC1.O=P(Cl)(Cl)Cl
InChIInChI=1S/C12H15N3O.Cl3OP/c16-11-6-7-13-12-10(11)8-14-15(12)9-4-2-1-3-5-9;1-5(2,3)4/h7-9H,1-6H2;
InChIKeyHRKHYUXKZZMWJN-UHFFFAOYSA-N
MW370.60 g/mol
LogP5.49
Rot. Bonds1

About 1-cyclohexyl-5H-pyrazolo[5,4-b]pyridin-4-one;phosphoryl trichloride

1-cyclohexyl-5H-pyrazolo[5,4-b]pyridin-4-one;phosphoryl trichloride (PubChem CID 123257757) has the molecular formula C12H15Cl3N3O2P and a molecular weight of 370.60 g/mol. Its IUPAC name is 1-cyclohexyl-5H-pyrazolo[5,4-b]pyridin-4-one;phosphoryl trichloride.

Molecular Properties

Compound Name1-cyclohexyl-5H-pyrazolo[5,4-b]pyridin-4-one;phosphoryl trichloride
PubChem CID123257757
Molecular FormulaC12H15Cl3N3O2P
Molecular Weight370.60 g/mol
Exact Mass369.00
IUPAC Name1-cyclohexyl-5H-pyrazolo[5,4-b]pyridin-4-one;phosphoryl trichloride
SMILESO=C1CC=Nc2c1cnn2C1CCCCC1.O=P(Cl)(Cl)Cl
InChIInChI=1S/C12H15N3O.Cl3OP/c16-11-6-7-13-12-10(11)8-14-15(12)9-4-2-1-3-5-9;1-5(2,3)4/h7-9H,1-6H2;
InChIKeyHRKHYUXKZZMWJN-UHFFFAOYSA-N
XLogP5.49
TPSA64.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.60
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5H-pyrazolo[5,4-b]pyridin-4-one;phosphoryl trichloride?
The IUPAC name of 1-cyclohexyl-5H-pyrazolo[5,4-b]pyridin-4-one;phosphoryl trichloride (CID 123257757) is 1-cyclohexyl-5H-pyrazolo[5,4-b]pyridin-4-one;phosphoryl trichloride.
What is the SMILES notation for 1-cyclohexyl-5H-pyrazolo[5,4-b]pyridin-4-one;phosphoryl trichloride?
The canonical SMILES for 1-cyclohexyl-5H-pyrazolo[5,4-b]pyridin-4-one;phosphoryl trichloride is O=C1CC=Nc2c1cnn2C1CCCCC1.O=P(Cl)(Cl)Cl.
What is the InChIKey of 1-cyclohexyl-5H-pyrazolo[5,4-b]pyridin-4-one;phosphoryl trichloride?
The InChIKey is HRKHYUXKZZMWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O.Cl3OP/c16-11-6-7-13-12-10(11)8-14-15(12)9-4-2-1-3-5-9;1-5(2,3)4/h7-9H,1-6H2;.
What are the key properties of 1-cyclohexyl-5H-pyrazolo[5,4-b]pyridin-4-one;phosphoryl trichloride?
1-cyclohexyl-5H-pyrazolo[5,4-b]pyridin-4-one;phosphoryl trichloride has a molecular weight of 370.60 g/mol, XLogP of 5.49, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5H-pyrazolo[5,4-b]pyridin-4-one;phosphoryl trichloride is sourced from PubChem (CID 123257757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).