5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,7-dihydropyrazolo[4,3-c]pyridin-6-one

C15H18N4O3 — CID 71059323

IUPAC5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,7-dihydropyrazolo[4,3-c]pyridin-6-one
SMILESCOc1ccc(Cc2nn(C)c3c2CN(N)C(=O)C3O)cc1
InChIInChI=1S/C15H18N4O3/c1-18-13-11(8-19(16)15(21)14(13)20)12(17-18)7-9-3-5-10(22-2)6-4-9/h3-6,14,20H,7-8,16H2,1-2H3
InChIKeyVXPHFJSSHNQUFK-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.27
Rot. Bonds3

About 5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,7-dihydropyrazolo[4,3-c]pyridin-6-one

5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,7-dihydropyrazolo[4,3-c]pyridin-6-one (PubChem CID 71059323) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,7-dihydropyrazolo[4,3-c]pyridin-6-one.

Molecular Properties

Compound Name5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,7-dihydropyrazolo[4,3-c]pyridin-6-one
PubChem CID71059323
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,7-dihydropyrazolo[4,3-c]pyridin-6-one
SMILESCOc1ccc(Cc2nn(C)c3c2CN(N)C(=O)C3O)cc1
InChIInChI=1S/C15H18N4O3/c1-18-13-11(8-19(16)15(21)14(13)20)12(17-18)7-9-3-5-10(22-2)6-4-9/h3-6,14,20H,7-8,16H2,1-2H3
InChIKeyVXPHFJSSHNQUFK-UHFFFAOYSA-N
XLogP0.27
TPSA93.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,7-dihydropyrazolo[4,3-c]pyridin-6-one?
The IUPAC name of 5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,7-dihydropyrazolo[4,3-c]pyridin-6-one (CID 71059323) is 5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,7-dihydropyrazolo[4,3-c]pyridin-6-one.
What is the SMILES notation for 5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,7-dihydropyrazolo[4,3-c]pyridin-6-one?
The canonical SMILES for 5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,7-dihydropyrazolo[4,3-c]pyridin-6-one is COc1ccc(Cc2nn(C)c3c2CN(N)C(=O)C3O)cc1.
What is the InChIKey of 5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,7-dihydropyrazolo[4,3-c]pyridin-6-one?
The InChIKey is VXPHFJSSHNQUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-18-13-11(8-19(16)15(21)14(13)20)12(17-18)7-9-3-5-10(22-2)6-4-9/h3-6,14,20H,7-8,16H2,1-2H3.
What are the key properties of 5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,7-dihydropyrazolo[4,3-c]pyridin-6-one?
5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,7-dihydropyrazolo[4,3-c]pyridin-6-one has a molecular weight of 302.33 g/mol, XLogP of 0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-hydroxy-3-[(4-methoxyphenyl)methyl]-1-methyl-4,7-dihydropyrazolo[4,3-c]pyridin-6-one is sourced from PubChem (CID 71059323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).