4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carbohydrazide

C15H16N4O2S — CID 719066

IUPAC4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carbohydrazide
SMILESCOCc1cc(C)nc2sc(C(=O)NN)c(-n3cccc3)c12
InChIInChI=1S/C15H16N4O2S/c1-9-7-10(8-21-2)11-12(19-5-3-4-6-19)13(14(20)18-16)22-15(11)17-9/h3-7H,8,16H2,1-2H3,(H,18,20)
InChIKeyFFDJBIILJUKIRK-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.15
Rot. Bonds4

About 4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carbohydrazide

4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carbohydrazide (PubChem CID 719066) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carbohydrazide.

Molecular Properties

Compound Name4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carbohydrazide
PubChem CID719066
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carbohydrazide
SMILESCOCc1cc(C)nc2sc(C(=O)NN)c(-n3cccc3)c12
InChIInChI=1S/C15H16N4O2S/c1-9-7-10(8-21-2)11-12(19-5-3-4-6-19)13(14(20)18-16)22-15(11)17-9/h3-7H,8,16H2,1-2H3,(H,18,20)
InChIKeyFFDJBIILJUKIRK-UHFFFAOYSA-N
XLogP2.15
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carbohydrazide?
The IUPAC name of 4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carbohydrazide (CID 719066) is 4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carbohydrazide.
What is the SMILES notation for 4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carbohydrazide?
The canonical SMILES for 4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carbohydrazide is COCc1cc(C)nc2sc(C(=O)NN)c(-n3cccc3)c12.
What is the InChIKey of 4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carbohydrazide?
The InChIKey is FFDJBIILJUKIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-9-7-10(8-21-2)11-12(19-5-3-4-6-19)13(14(20)18-16)22-15(11)17-9/h3-7H,8,16H2,1-2H3,(H,18,20).
What are the key properties of 4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carbohydrazide?
4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carbohydrazide has a molecular weight of 316.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carbohydrazide is sourced from PubChem (CID 719066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).