3-(1-benzofuran-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide

C22H21N3O4 — CID 23589726

IUPAC3-(1-benzofuran-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCC2CCCO2)ccc2[nH]nc(-c3cc4ccccc4o3)c12
InChIInChI=1S/C22H21N3O4/c1-27-21-15(22(26)23-12-14-6-4-10-28-14)8-9-16-19(21)20(25-24-16)18-11-13-5-2-3-7-17(13)29-18/h2-3,5,7-9,11,14H,4,6,10,12H2,1H3,(H,23,26)(H,24,25)
InChIKeyBEGYUIIITLZVJX-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.89
Rot. Bonds5

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

3-(1-benzofuran-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 23589726) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID23589726
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name3-(1-benzofuran-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCC2CCCO2)ccc2[nH]nc(-c3cc4ccccc4o3)c12
InChIInChI=1S/C22H21N3O4/c1-27-21-15(22(26)23-12-14-6-4-10-28-14)8-9-16-19(21)20(25-24-16)18-11-13-5-2-3-7-17(13)29-18/h2-3,5,7-9,11,14H,4,6,10,12H2,1H3,(H,23,26)(H,24,25)
InChIKeyBEGYUIIITLZVJX-UHFFFAOYSA-N
XLogP3.89
TPSA89.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.89
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)-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzofuran-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide (CID 23589726) is 3-(1-benzofuran-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzofuran-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide is COc1c(C(=O)NCC2CCCO2)ccc2[nH]nc(-c3cc4ccccc4o3)c12.
What is the InChIKey of 3-(1-benzofuran-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is BEGYUIIITLZVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-27-21-15(22(26)23-12-14-6-4-10-28-14)8-9-16-19(21)20(25-24-16)18-11-13-5-2-3-7-17(13)29-18/h2-3,5,7-9,11,14H,4,6,10,12H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-(1-benzofuran-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide?
3-(1-benzofuran-2-yl)-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.89, 5 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)-4-methoxy-N-(oxolan-2-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).