[4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid

C13H12N3O4P — CID 155195374

IUPAC[4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid
SMILESO=c1[nH]ccc2c1cnn2Cc1ccc(P(=O)(O)O)cc1
InChIInChI=1S/C13H12N3O4P/c17-13-11-7-15-16(12(11)5-6-14-13)8-9-1-3-10(4-2-9)21(18,19)20/h1-7H,8H2,(H,14,17)(H2,18,19,20)
InChIKeyYQZOVMNCHZSTOW-UHFFFAOYSA-N
MW305.23 g/mol
LogP0.58
Rot. Bonds3

About [4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid

[4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid (PubChem CID 155195374) has the molecular formula C13H12N3O4P and a molecular weight of 305.23 g/mol. Its IUPAC name is [4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid.

Molecular Properties

Compound Name[4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid
PubChem CID155195374
Molecular FormulaC13H12N3O4P
Molecular Weight305.23 g/mol
Exact Mass305.06
IUPAC Name[4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid
SMILESO=c1[nH]ccc2c1cnn2Cc1ccc(P(=O)(O)O)cc1
InChIInChI=1S/C13H12N3O4P/c17-13-11-7-15-16(12(11)5-6-14-13)8-9-1-3-10(4-2-9)21(18,19)20/h1-7H,8H2,(H,14,17)(H2,18,19,20)
InChIKeyYQZOVMNCHZSTOW-UHFFFAOYSA-N
XLogP0.58
TPSA108.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.23
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)acetic acid
CID 135992873
CID 167551519
CID 167551519
1-propan-2-yl-5H-pyrazolo[4,5-c]pyridin-4-one
CID 137277698
1-benzylindazole-4-carbonyl chloride
CID 88925146
[4-[(7,8-dimethoxy-3-methyl-2-oxoimidazo[4,5-c]quinolin-1-yl)methyl]phenyl]phosphonic acid
CID 163399444
2-[7-[(4-fluorophenyl)methyl]-4-methyl-9-oxo-3-thia-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-10-yl]acetic acid
CID 16672547
1-(2-methylpropyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 136923411
2-[4-chloro-1-[(4-methoxyphenyl)methyl]indazol-6-yl]acetic acid
CID 155588748
1-(2-hydroxyethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135453822
5-tert-butyl-1-[[4-(4-chlorobenzoyl)phenyl]methyl]pyrazolo[4,5-d]pyridazin-4-one
CID 18919212
1-[(4-methoxyphenyl)methyl]-5-methylindazol-4-amine
CID 146288251
7-ethyl-10-[(4-fluorophenyl)methyl]-4-methyl-3-oxa-7,10,11-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,11-tetraen-9-one
CID 16671056

Frequently Asked Questions

What is the IUPAC name of [4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid?
The IUPAC name of [4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid (CID 155195374) is [4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid.
What is the SMILES notation for [4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid?
The canonical SMILES for [4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid is O=c1[nH]ccc2c1cnn2Cc1ccc(P(=O)(O)O)cc1.
What is the InChIKey of [4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid?
The InChIKey is YQZOVMNCHZSTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N3O4P/c17-13-11-7-15-16(12(11)5-6-14-13)8-9-1-3-10(4-2-9)21(18,19)20/h1-7H,8H2,(H,14,17)(H2,18,19,20).
What are the key properties of [4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid?
[4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid has a molecular weight of 305.23 g/mol, XLogP of 0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-oxo-5H-pyrazolo[4,5-c]pyridin-1-yl)methyl]phenyl]phosphonic acid is sourced from PubChem (CID 155195374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).