1-phosphanyl-7H-pyrazolo[5,4-b]pyridin-4-one

C6H6N3OP — CID 162760869

IUPAC1-phosphanyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESO=c1cc[nH]c2c1cnn2P
InChIInChI=1S/C6H6N3OP/c10-5-1-2-7-6-4(5)3-8-9(6)11/h1-3H,11H2,(H,7,10)
InChIKeyWTXSPDDAOFSHEM-UHFFFAOYSA-N
MW167.11 g/mol
LogP0.36
Rot. Bonds

About 1-phosphanyl-7H-pyrazolo[5,4-b]pyridin-4-one

1-phosphanyl-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 162760869) has the molecular formula C6H6N3OP and a molecular weight of 167.11 g/mol. Its IUPAC name is 1-phosphanyl-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name1-phosphanyl-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID162760869
Molecular FormulaC6H6N3OP
Molecular Weight167.11 g/mol
Exact Mass167.02
IUPAC Name1-phosphanyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESO=c1cc[nH]c2c1cnn2P
InChIInChI=1S/C6H6N3OP/c10-5-1-2-7-6-4(5)3-8-9(6)11/h1-3H,11H2,(H,7,10)
InChIKeyWTXSPDDAOFSHEM-UHFFFAOYSA-N
XLogP0.36
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.11
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1H-pyrazolo[3,4-b]pyridin-4-ol
CID 135741602
1-(trifluoromethyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 155025254
6-Amino-1H-pyrazolo[3,4-b]pyridin-4(2H)-one
CID 135468205
1-tert-butyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137086389
1-[1-Methyl-5-(methylamino)pyrazol-4-yl]ethanone
CID 20703771
1-methyl-1H,4H,7H-pyrazolo[3,4-b]pyridin-4-one
CID 135968977
1-ethyl-1H-pyrazolo[3,4-b]pyridin-4-ol
CID 136334668
2-Methyl-2,7-dihydro-pyrazolo[3,4-b]pyridin-4-one
CID 136400732
1,7-Dihydropyrazolo[5,4-b]pyridin-4-one;dihydrochloride
CID 137303534
1-cyclopropyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 137437370
1-iodo-7H-pyrazolo[5,4-b]pyridin-4-one
CID 141188393
1-bromo-7H-pyrazolo[5,4-b]pyridin-4-one
CID 141228624

Frequently Asked Questions

What is the IUPAC name of 1-phosphanyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 1-phosphanyl-7H-pyrazolo[5,4-b]pyridin-4-one (CID 162760869) is 1-phosphanyl-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 1-phosphanyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 1-phosphanyl-7H-pyrazolo[5,4-b]pyridin-4-one is O=c1cc[nH]c2c1cnn2P.
What is the InChIKey of 1-phosphanyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is WTXSPDDAOFSHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N3OP/c10-5-1-2-7-6-4(5)3-8-9(6)11/h1-3H,11H2,(H,7,10).
What are the key properties of 1-phosphanyl-7H-pyrazolo[5,4-b]pyridin-4-one?
1-phosphanyl-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 167.11 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phosphanyl-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 162760869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).