N-[4-(3-amino-4,6-dioxo-7H-pyrazolo[4,3-c]pyridin-2-yl)phenyl]formamide

C13H11N5O3 — CID 142182880

IUPACN-[4-(3-amino-4,6-dioxo-7H-pyrazolo[4,3-c]pyridin-2-yl)phenyl]formamide
SMILESNc1c2c(nn1-c1ccc(NC=O)cc1)CC(=O)NC2=O
InChIInChI=1S/C13H11N5O3/c14-12-11-9(5-10(20)16-13(11)21)17-18(12)8-3-1-7(2-4-8)15-6-19/h1-4,6H,5,14H2,(H,15,19)(H,16,20,21)
InChIKeyHOPVUTXYHPIVTG-UHFFFAOYSA-N
MW285.26 g/mol
LogP-0.16
Rot. Bonds3

About N-[4-(3-amino-4,6-dioxo-7H-pyrazolo[4,3-c]pyridin-2-yl)phenyl]formamide

N-[4-(3-amino-4,6-dioxo-7H-pyrazolo[4,3-c]pyridin-2-yl)phenyl]formamide (PubChem CID 142182880) has the molecular formula C13H11N5O3 and a molecular weight of 285.26 g/mol. Its IUPAC name is N-[4-(3-amino-4,6-dioxo-7H-pyrazolo[4,3-c]pyridin-2-yl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(3-amino-4,6-dioxo-7H-pyrazolo[4,3-c]pyridin-2-yl)phenyl]formamide
PubChem CID142182880
Molecular FormulaC13H11N5O3
Molecular Weight285.26 g/mol
Exact Mass285.09
IUPAC NameN-[4-(3-amino-4,6-dioxo-7H-pyrazolo[4,3-c]pyridin-2-yl)phenyl]formamide
SMILESNc1c2c(nn1-c1ccc(NC=O)cc1)CC(=O)NC2=O
InChIInChI=1S/C13H11N5O3/c14-12-11-9(5-10(20)16-13(11)21)17-18(12)8-3-1-7(2-4-8)15-6-19/h1-4,6H,5,14H2,(H,15,19)(H,16,20,21)
InChIKeyHOPVUTXYHPIVTG-UHFFFAOYSA-N
XLogP-0.16
TPSA119.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-phenyl-7H-pyrazolo[4,3-c]pyridine-4,6-dione
CID 555805
N-[4-(5-oxo-1,4-dihydropyrazol-3-yl)phenyl]formamide
CID 168654344
N-[4-(4-cyano-3,5-dimethylpyrazol-1-yl)phenyl]formamide
CID 12522117
N-[4-(tetrazol-1-yl)phenyl]formamide
CID 64992133
N-[4-(5-chlorobenzotriazol-2-yl)phenyl]formamide
CID 134159467
1-(4-formamidophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168654587
N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]formamide
CID 130280941
3-amino-7-methoxyimino-2-phenylpyrazolo[4,3-c]pyridine-4,6-dione
CID 91612887
5-methylidene-3-phenylimidazolidine-2,4-dione;N-phenylformamide
CID 21318193
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]formamide
CID 168653690
2-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-amine
CID 65348458
N-[4-(4-cyano-3-methylpyrazol-1-yl)phenyl]formamide
CID 12522114

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-amino-4,6-dioxo-7H-pyrazolo[4,3-c]pyridin-2-yl)phenyl]formamide?
The IUPAC name of N-[4-(3-amino-4,6-dioxo-7H-pyrazolo[4,3-c]pyridin-2-yl)phenyl]formamide (CID 142182880) is N-[4-(3-amino-4,6-dioxo-7H-pyrazolo[4,3-c]pyridin-2-yl)phenyl]formamide.
What is the SMILES notation for N-[4-(3-amino-4,6-dioxo-7H-pyrazolo[4,3-c]pyridin-2-yl)phenyl]formamide?
The canonical SMILES for N-[4-(3-amino-4,6-dioxo-7H-pyrazolo[4,3-c]pyridin-2-yl)phenyl]formamide is Nc1c2c(nn1-c1ccc(NC=O)cc1)CC(=O)NC2=O.
What is the InChIKey of N-[4-(3-amino-4,6-dioxo-7H-pyrazolo[4,3-c]pyridin-2-yl)phenyl]formamide?
The InChIKey is HOPVUTXYHPIVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O3/c14-12-11-9(5-10(20)16-13(11)21)17-18(12)8-3-1-7(2-4-8)15-6-19/h1-4,6H,5,14H2,(H,15,19)(H,16,20,21).
What are the key properties of N-[4-(3-amino-4,6-dioxo-7H-pyrazolo[4,3-c]pyridin-2-yl)phenyl]formamide?
N-[4-(3-amino-4,6-dioxo-7H-pyrazolo[4,3-c]pyridin-2-yl)phenyl]formamide has a molecular weight of 285.26 g/mol, XLogP of -0.16, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-amino-4,6-dioxo-7H-pyrazolo[4,3-c]pyridin-2-yl)phenyl]formamide is sourced from PubChem (CID 142182880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).