3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-1H-indazole-5-carboxamide

C24H21N3O4 — CID 23589733

IUPAC3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-1H-indazole-5-carboxamide
SMILESCCCOc1c(C(=O)NCc2ccco2)ccc2[nH]nc(-c3cc4ccccc4o3)c12
InChIInChI=1S/C24H21N3O4/c1-2-11-30-23-17(24(28)25-14-16-7-5-12-29-16)9-10-18-21(23)22(27-26-18)20-13-15-6-3-4-8-19(15)31-20/h3-10,12-13H,2,11,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyCLLPDVATOSGRCE-UHFFFAOYSA-N
MW415.45 g/mol
LogP5.29
Rot. Bonds7

About 3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-1H-indazole-5-carboxamide

3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-1H-indazole-5-carboxamide (PubChem CID 23589733) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-1H-indazole-5-carboxamide
PubChem CID23589733
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-1H-indazole-5-carboxamide
SMILESCCCOc1c(C(=O)NCc2ccco2)ccc2[nH]nc(-c3cc4ccccc4o3)c12
InChIInChI=1S/C24H21N3O4/c1-2-11-30-23-17(24(28)25-14-16-7-5-12-29-16)9-10-18-21(23)22(27-26-18)20-13-15-6-3-4-8-19(15)31-20/h3-10,12-13H,2,11,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyCLLPDVATOSGRCE-UHFFFAOYSA-N
XLogP5.29
TPSA93.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.45
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-1H-indazole-5-carboxamide (CID 23589733) is 3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-1H-indazole-5-carboxamide is CCCOc1c(C(=O)NCc2ccco2)ccc2[nH]nc(-c3cc4ccccc4o3)c12.
What is the InChIKey of 3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-1H-indazole-5-carboxamide?
The InChIKey is CLLPDVATOSGRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-2-11-30-23-17(24(28)25-14-16-7-5-12-29-16)9-10-18-21(23)22(27-26-18)20-13-15-6-3-4-8-19(15)31-20/h3-10,12-13H,2,11,14H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-1H-indazole-5-carboxamide?
3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-1H-indazole-5-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-N-(furan-2-ylmethyl)-4-propoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).