2-[[2-(4-carboxypyrazol-1-yl)-6-oxo-1H-purin-7-yl]methyl]-1,3-oxazole-4-carboxylic acid

C14H9N7O6 — CID 156762334

IUPAC2-[[2-(4-carboxypyrazol-1-yl)-6-oxo-1H-purin-7-yl]methyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2nc3ncn(Cc4nc(C(=O)O)co4)c3c(=O)[nH]2)c1
InChIInChI=1S/C14H9N7O6/c22-11-9-10(18-14(19-11)21-2-6(1-16-21)12(23)24)15-5-20(9)3-8-17-7(4-27-8)13(25)26/h1-2,4-5H,3H2,(H,23,24)(H,25,26)(H,18,19,22)
InChIKeyLHTMSZYVYQJKFQ-UHFFFAOYSA-N
MW371.27 g/mol
LogP-0.26
Rot. Bonds5

About 2-[[2-(4-carboxypyrazol-1-yl)-6-oxo-1H-purin-7-yl]methyl]-1,3-oxazole-4-carboxylic acid

2-[[2-(4-carboxypyrazol-1-yl)-6-oxo-1H-purin-7-yl]methyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 156762334) has the molecular formula C14H9N7O6 and a molecular weight of 371.27 g/mol. Its IUPAC name is 2-[[2-(4-carboxypyrazol-1-yl)-6-oxo-1H-purin-7-yl]methyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(4-carboxypyrazol-1-yl)-6-oxo-1H-purin-7-yl]methyl]-1,3-oxazole-4-carboxylic acid
PubChem CID156762334
Molecular FormulaC14H9N7O6
Molecular Weight371.27 g/mol
Exact Mass371.06
IUPAC Name2-[[2-(4-carboxypyrazol-1-yl)-6-oxo-1H-purin-7-yl]methyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnn(-c2nc3ncn(Cc4nc(C(=O)O)co4)c3c(=O)[nH]2)c1
InChIInChI=1S/C14H9N7O6/c22-11-9-10(18-14(19-11)21-2-6(1-16-21)12(23)24)15-5-20(9)3-8-17-7(4-27-8)13(25)26/h1-2,4-5H,3H2,(H,23,24)(H,25,26)(H,18,19,22)
InChIKeyLHTMSZYVYQJKFQ-UHFFFAOYSA-N
XLogP-0.26
TPSA182.02 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.27
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-[[2-(4-carboxypyrazol-1-yl)-6-oxo-1H-purin-7-yl]methyl]-1,3-oxazole-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-(7-benzyl-6-oxo-1H-purin-2-yl)pyrazole-4-carboxylic acid
CID 156762446
1-[7-[(3-fluorophenyl)methyl]-6-oxo-1H-purin-2-yl]pyrazole-4-carboxylic acid
CID 156762440
1-[6-oxo-7-(3-phenoxypropyl)-1H-purin-2-yl]pyrazole-4-carboxylic acid
CID 156762264
4-[[2-(4-methylpyrazol-1-yl)-6-oxo-1H-purin-7-yl]methyl]benzoic acid
CID 161058704
1-[6-oxo-7-[[4-(3-pyrrolidin-1-ylpropoxy)phenyl]methyl]-1H-purin-2-yl]pyrazole-4-carboxylic acid
CID 156762390
1-[9-[(4-methylsulfanylphenyl)methyl]-6-oxo-1H-purin-2-yl]pyrazole-4-carboxylic acid
CID 156762463
1-[9-(naphthalen-2-ylmethyl)-6-oxo-1H-purin-2-yl]pyrazole-4-carboxylic acid
CID 156762317
1-[5-[(3-carboxyphenyl)methyl]-4-oxo-3H-pyrrolo[3,2-d]pyrimidin-2-yl]pyrazole-4-carboxylic acid
CID 157022869
1-[8-cyclopropyl-7-[(4-methoxyphenyl)methyl]-6-oxo-1H-purin-2-yl]pyrazole-4-carboxylic acid
CID 156762432
1-[3-methyl-1-(naphthalen-2-ylmethyl)-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-5-yl]pyrazole-4-carboxylic acid
CID 137130591
1-[1-[(2S)-4-methylpentan-2-yl]-7-oxo-6H-pyrazolo[4,5-d]pyrimidin-5-yl]pyrazole-4-carboxylic acid
CID 137120301
1-[7-oxo-1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-6H-pyrazolo[4,5-d]pyrimidin-5-yl]pyrazole-4-carboxylic acid
CID 137108105

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-carboxypyrazol-1-yl)-6-oxo-1H-purin-7-yl]methyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[[2-(4-carboxypyrazol-1-yl)-6-oxo-1H-purin-7-yl]methyl]-1,3-oxazole-4-carboxylic acid (CID 156762334) is 2-[[2-(4-carboxypyrazol-1-yl)-6-oxo-1H-purin-7-yl]methyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[[2-(4-carboxypyrazol-1-yl)-6-oxo-1H-purin-7-yl]methyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[[2-(4-carboxypyrazol-1-yl)-6-oxo-1H-purin-7-yl]methyl]-1,3-oxazole-4-carboxylic acid is O=C(O)c1cnn(-c2nc3ncn(Cc4nc(C(=O)O)co4)c3c(=O)[nH]2)c1.
What is the InChIKey of 2-[[2-(4-carboxypyrazol-1-yl)-6-oxo-1H-purin-7-yl]methyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is LHTMSZYVYQJKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N7O6/c22-11-9-10(18-14(19-11)21-2-6(1-16-21)12(23)24)15-5-20(9)3-8-17-7(4-27-8)13(25)26/h1-2,4-5H,3H2,(H,23,24)(H,25,26)(H,18,19,22).
What are the key properties of 2-[[2-(4-carboxypyrazol-1-yl)-6-oxo-1H-purin-7-yl]methyl]-1,3-oxazole-4-carboxylic acid?
2-[[2-(4-carboxypyrazol-1-yl)-6-oxo-1H-purin-7-yl]methyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 371.27 g/mol, XLogP of -0.26, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-carboxypyrazol-1-yl)-6-oxo-1H-purin-7-yl]methyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 156762334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).