sodium 4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylate

C10H9N2NaO5 — CID 171689515

IUPACsodium 4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCC(C(=O)[O-])=C2O.[Na+]
InChIInChI=1S/C10H10N2O5.Na/c1-17-10(16)6-4-7-8(13)5(9(14)15)2-3-12(7)11-6;/h4,13H,2-3H2,1H3,(H,14,15);/q;+1/p-1
InChIKeyJQQXTZYQZGNSKD-UHFFFAOYSA-M
MW260.18 g/mol
LogP-3.90
Rot. Bonds2

About sodium 4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylate

sodium 4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylate (PubChem CID 171689515) has the molecular formula C10H9N2NaO5 and a molecular weight of 260.18 g/mol. Its IUPAC name is sodium 4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namesodium 4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylate
PubChem CID171689515
Molecular FormulaC10H9N2NaO5
Molecular Weight260.18 g/mol
Exact Mass260.04
IUPAC Namesodium 4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cc2n(n1)CCC(C(=O)[O-])=C2O.[Na+]
InChIInChI=1S/C10H10N2O5.Na/c1-17-10(16)6-4-7-8(13)5(9(14)15)2-3-12(7)11-6;/h4,13H,2-3H2,1H3,(H,14,15);/q;+1/p-1
InChIKeyJQQXTZYQZGNSKD-UHFFFAOYSA-M
XLogP-3.90
TPSA104.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 5-3.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylic acid
CID 171689516
sodium 2-methoxycarbonyl-4-oxo-6,7-dihydro-5H-pyrazolo[1,5-a]pyridine-5-carboxylate
CID 91886851
methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
CID 118705226
methyl 5-[(4-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 1475682
methyl 5-[(3-methoxyphenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 1475692
methyl 4-amino-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;hydrochloride
CID 119099129
methyl 5-bromo-1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 178088151
ethane;methyl 5-bromo-1-(4-fluorophenyl)pyrazole-3-carboxylate
CID 178088150
methyl 5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 62267837
methyl 5-(4-sulfamoylbenzoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 50972403
dimethyl 2,3-dihydroxycyclohexa-1,3-diene-1,4-dicarboxylate
CID 54679371
methyl 6-[[4-[[6-methoxycarbonyl-4-[2-(4-methoxyphenyl)ethynyl]-2-pyridinyl]methyl]-7-[[6-methoxycarbonyl-4-(4-methoxyphenyl)-2-pyridinyl]methyl]-1,4,7-triazonan-1-yl]methyl]-4-[2-(4-methoxyphenyl)ethynyl]pyridine-2-carboxylate
CID 89395015

Frequently Asked Questions

What is the IUPAC name of sodium 4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of sodium 4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylate (CID 171689515) is sodium 4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for sodium 4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for sodium 4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylate is COC(=O)c1cc2n(n1)CCC(C(=O)[O-])=C2O.[Na+].
What is the InChIKey of sodium 4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylate?
The InChIKey is JQQXTZYQZGNSKD-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10N2O5.Na/c1-17-10(16)6-4-7-8(13)5(9(14)15)2-3-12(7)11-6;/h4,13H,2-3H2,1H3,(H,14,15);/q;+1/p-1.
What are the key properties of sodium 4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylate?
sodium 4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylate has a molecular weight of 260.18 g/mol, XLogP of -3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-hydroxy-2-methoxycarbonyl-6,7-dihydropyrazolo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 171689515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).