3-ethoxy-N-(furan-2-ylmethyl)-2-propylindazole-6-carboxamide

C18H21N3O3 — CID 71425610

IUPAC3-ethoxy-N-(furan-2-ylmethyl)-2-propylindazole-6-carboxamide
SMILESCCCn1nc2cc(C(=O)NCc3ccco3)ccc2c1OCC
InChIInChI=1S/C18H21N3O3/c1-3-9-21-18(23-4-2)15-8-7-13(11-16(15)20-21)17(22)19-12-14-6-5-10-24-14/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,19,22)
InChIKeyVDQYTJPTAAQWKZ-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.37
Rot. Bonds7

About 3-ethoxy-N-(furan-2-ylmethyl)-2-propylindazole-6-carboxamide

3-ethoxy-N-(furan-2-ylmethyl)-2-propylindazole-6-carboxamide (PubChem CID 71425610) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3-ethoxy-N-(furan-2-ylmethyl)-2-propylindazole-6-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-(furan-2-ylmethyl)-2-propylindazole-6-carboxamide
PubChem CID71425610
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name3-ethoxy-N-(furan-2-ylmethyl)-2-propylindazole-6-carboxamide
SMILESCCCn1nc2cc(C(=O)NCc3ccco3)ccc2c1OCC
InChIInChI=1S/C18H21N3O3/c1-3-9-21-18(23-4-2)15-8-7-13(11-16(15)20-21)17(22)19-12-14-6-5-10-24-14/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,19,22)
InChIKeyVDQYTJPTAAQWKZ-UHFFFAOYSA-N
XLogP3.37
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(furan-2-ylmethyl)-2-propylindazole-6-carboxamide?
The IUPAC name of 3-ethoxy-N-(furan-2-ylmethyl)-2-propylindazole-6-carboxamide (CID 71425610) is 3-ethoxy-N-(furan-2-ylmethyl)-2-propylindazole-6-carboxamide.
What is the SMILES notation for 3-ethoxy-N-(furan-2-ylmethyl)-2-propylindazole-6-carboxamide?
The canonical SMILES for 3-ethoxy-N-(furan-2-ylmethyl)-2-propylindazole-6-carboxamide is CCCn1nc2cc(C(=O)NCc3ccco3)ccc2c1OCC.
What is the InChIKey of 3-ethoxy-N-(furan-2-ylmethyl)-2-propylindazole-6-carboxamide?
The InChIKey is VDQYTJPTAAQWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-9-21-18(23-4-2)15-8-7-13(11-16(15)20-21)17(22)19-12-14-6-5-10-24-14/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,19,22).
What are the key properties of 3-ethoxy-N-(furan-2-ylmethyl)-2-propylindazole-6-carboxamide?
3-ethoxy-N-(furan-2-ylmethyl)-2-propylindazole-6-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(furan-2-ylmethyl)-2-propylindazole-6-carboxamide is sourced from PubChem (CID 71425610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).