methyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-2-carboxylate

C15H14N4O3S — CID 2768085

IUPACmethyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1cnc2cc(C)nn2c1C
InChIInChI=1S/C15H14N4O3S/c1-8-6-12-16-7-10(9(2)19(12)18-8)14(20)17-11-4-5-23-13(11)15(21)22-3/h4-7H,1-3H3,(H,17,20)
InChIKeyJEDIJFBWCWEISI-UHFFFAOYSA-N
MW330.37 g/mol
LogP2.45
Rot. Bonds3

About methyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-2-carboxylate

methyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-2-carboxylate (PubChem CID 2768085) has the molecular formula C15H14N4O3S and a molecular weight of 330.37 g/mol. Its IUPAC name is methyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-2-carboxylate
PubChem CID2768085
Molecular FormulaC15H14N4O3S
Molecular Weight330.37 g/mol
Exact Mass330.08
IUPAC Namemethyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)c1cnc2cc(C)nn2c1C
InChIInChI=1S/C15H14N4O3S/c1-8-6-12-16-7-10(9(2)19(12)18-8)14(20)17-11-4-5-23-13(11)15(21)22-3/h4-7H,1-3H3,(H,17,20)
InChIKeyJEDIJFBWCWEISI-UHFFFAOYSA-N
XLogP2.45
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-{[(2,7-Dimethylpyrazolo[1,5-a]pyrimidin-6-yl)carbonyl]amino}-2-thiophenecarboxylic acid
CID 2768093
Methyl 3-[4-[[6-(methylamino)-3-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]triazol-1-yl]thiophene-2-carboxylate
CID 145978300
US10155765, Example 50
CID 122515249
4-methyl-N-{2-methylpyrazolo[1,5-a]pyrimidin-6-yl}thiophene-2-carboxamide
CID 76148127
Ethyl 7-methyl-2-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 2736452
Methyl 3-[3-methyl-1-phenyl-5-(1H-pyrrol-1-YL)-1H-pyrazole-4-amido]thiophene-2-carboxylate
CID 20892702
methyl 3-(6-(1H-1,2,4-triazol-1-yl)pyridazine-3-carboxamido)thiophene-2-carboxylate
CID 71805169
methyl 2-(6-(1H-1,2,4-triazol-1-yl)pyridazine-3-carboxamido)thiophene-3-carboxylate
CID 71805174
methyl 3-(1-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)piperidine-3-carboxamido)thiophene-2-carboxylate
CID 72719824
7-(difluoromethyl)-5-methyl-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)butan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 16671809
3-{[3-(2-isobutyl-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)propanoyl]amino}thiophene-2-carboxylic acid
CID 91831421
Methyl 3-[([1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)methyl]thiophene-2-carboxylate
CID 177662481

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-2-carboxylate (CID 2768085) is methyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)c1cnc2cc(C)nn2c1C.
What is the InChIKey of methyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-2-carboxylate?
The InChIKey is JEDIJFBWCWEISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3S/c1-8-6-12-16-7-10(9(2)19(12)18-8)14(20)17-11-4-5-23-13(11)15(21)22-3/h4-7H,1-3H3,(H,17,20).
What are the key properties of methyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-2-carboxylate?
methyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-2-carboxylate has a molecular weight of 330.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2,7-dimethylpyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]thiophene-2-carboxylate is sourced from PubChem (CID 2768085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).