methyl 2-(cyclopropylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

C20H26N4O5S2 — CID 26356349

IUPACmethyl 2-(cyclopropylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1c(S(=O)(=O)NC2CC2)sc2c1CCN(C(=O)c1cc(CC(C)C)[nH]n1)C2
InChIInChI=1S/C20H26N4O5S2/c1-11(2)8-13-9-15(22-21-13)18(25)24-7-6-14-16(10-24)30-20(17(14)19(26)29-3)31(27,28)23-12-4-5-12/h9,11-12,23H,4-8,10H2,1-3H3,(H,21,22)
InChIKeyAWTKYLMYOAIUGJ-UHFFFAOYSA-N
MW466.59 g/mol
LogP2.10
Rot. Bonds7

About methyl 2-(cyclopropylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

methyl 2-(cyclopropylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (PubChem CID 26356349) has the molecular formula C20H26N4O5S2 and a molecular weight of 466.59 g/mol. Its IUPAC name is methyl 2-(cyclopropylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
PubChem CID26356349
Molecular FormulaC20H26N4O5S2
Molecular Weight466.59 g/mol
Exact Mass466.13
IUPAC Namemethyl 2-(cyclopropylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1c(S(=O)(=O)NC2CC2)sc2c1CCN(C(=O)c1cc(CC(C)C)[nH]n1)C2
InChIInChI=1S/C20H26N4O5S2/c1-11(2)8-13-9-15(22-21-13)18(25)24-7-6-14-16(10-24)30-20(17(14)19(26)29-3)31(27,28)23-12-4-5-12/h9,11-12,23H,4-8,10H2,1-3H3,(H,21,22)
InChIKeyAWTKYLMYOAIUGJ-UHFFFAOYSA-N
XLogP2.10
TPSA121.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 2-(cyclopropylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (CID 26356349) is methyl 2-(cyclopropylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(cyclopropylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(cyclopropylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is COC(=O)c1c(S(=O)(=O)NC2CC2)sc2c1CCN(C(=O)c1cc(CC(C)C)[nH]n1)C2.
What is the InChIKey of methyl 2-(cyclopropylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is AWTKYLMYOAIUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5S2/c1-11(2)8-13-9-15(22-21-13)18(25)24-7-6-14-16(10-24)30-20(17(14)19(26)29-3)31(27,28)23-12-4-5-12/h9,11-12,23H,4-8,10H2,1-3H3,(H,21,22).
What are the key properties of methyl 2-(cyclopropylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
methyl 2-(cyclopropylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 466.59 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylsulfamoyl)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26356349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).