methyl 5-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]thiophene-2-carboxylate

C13H12N4O3S — CID 167901085

IUPACmethyl 5-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(Cn2cnc3c(cnn3C)c2=O)s1
InChIInChI=1S/C13H12N4O3S/c1-16-11-9(5-15-16)12(18)17(7-14-11)6-8-3-4-10(21-8)13(19)20-2/h3-5,7H,6H2,1-2H3
InChIKeyVFSMZWPJXUDSBK-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.03
Rot. Bonds3

About methyl 5-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]thiophene-2-carboxylate

methyl 5-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]thiophene-2-carboxylate (PubChem CID 167901085) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is methyl 5-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]thiophene-2-carboxylate
PubChem CID167901085
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC Namemethyl 5-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]thiophene-2-carboxylate
SMILESCOC(=O)c1ccc(Cn2cnc3c(cnn3C)c2=O)s1
InChIInChI=1S/C13H12N4O3S/c1-16-11-9(5-15-16)12(18)17(7-14-11)6-8-3-4-10(21-8)13(19)20-2/h3-5,7H,6H2,1-2H3
InChIKeyVFSMZWPJXUDSBK-UHFFFAOYSA-N
XLogP1.03
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl 5-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]thiophene-2-carboxylate with MolForge

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Related Compounds

methyl 5-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylate
CID 71920876
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CID 62565244
5-[(5-acetyl-2-methoxyphenyl)methyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 2445448
2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetohydrazide
CID 19616734
1-methyl-5-pentylpyrazolo[5,4-d]pyrimidin-4-one
CID 163346905
N-methoxy-N-methyl-2-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 47138210
5-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-1-methylpyrazolo[5,4-d]pyrimidin-4-one
CID 62564856
ethyl 3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoate
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CID 63277468
5-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]thiophene-2-carboxylic acid
CID 55184366
methyl 4,5-dimethoxy-2-[3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)propanoylamino]benzoate
CID 16593148
3-(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-phenylpropanamide
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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]thiophene-2-carboxylate?
The IUPAC name of methyl 5-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]thiophene-2-carboxylate (CID 167901085) is methyl 5-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 5-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 5-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]thiophene-2-carboxylate is COC(=O)c1ccc(Cn2cnc3c(cnn3C)c2=O)s1.
What is the InChIKey of methyl 5-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]thiophene-2-carboxylate?
The InChIKey is VFSMZWPJXUDSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c1-16-11-9(5-15-16)12(18)17(7-14-11)6-8-3-4-10(21-8)13(19)20-2/h3-5,7H,6H2,1-2H3.
What are the key properties of methyl 5-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]thiophene-2-carboxylate?
methyl 5-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]thiophene-2-carboxylate has a molecular weight of 304.33 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]thiophene-2-carboxylate is sourced from PubChem (CID 167901085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).