N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-1-benzofuran-5-carboxamide

C21H20N4O3 — CID 70740170

IUPACN-(1-methyl-4-morpholin-4-ylindazol-3-yl)-1-benzofuran-5-carboxamide
SMILESCn1nc(NC(=O)c2ccc3occc3c2)c2c(N3CCOCC3)cccc21
InChIInChI=1S/C21H20N4O3/c1-24-16-3-2-4-17(25-8-11-27-12-9-25)19(16)20(23-24)22-21(26)15-5-6-18-14(13-15)7-10-28-18/h2-7,10,13H,8-9,11-12H2,1H3,(H,22,23,26)
InChIKeyFSKWLBJVGXFMDD-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.41
Rot. Bonds3

About N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-1-benzofuran-5-carboxamide

N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-1-benzofuran-5-carboxamide (PubChem CID 70740170) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-4-morpholin-4-ylindazol-3-yl)-1-benzofuran-5-carboxamide
PubChem CID70740170
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-(1-methyl-4-morpholin-4-ylindazol-3-yl)-1-benzofuran-5-carboxamide
SMILESCn1nc(NC(=O)c2ccc3occc3c2)c2c(N3CCOCC3)cccc21
InChIInChI=1S/C21H20N4O3/c1-24-16-3-2-4-17(25-8-11-27-12-9-25)19(16)20(23-24)22-21(26)15-5-6-18-14(13-15)7-10-28-18/h2-7,10,13H,8-9,11-12H2,1H3,(H,22,23,26)
InChIKeyFSKWLBJVGXFMDD-UHFFFAOYSA-N
XLogP3.41
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-1-benzofuran-5-carboxamide?
The IUPAC name of N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-1-benzofuran-5-carboxamide (CID 70740170) is N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-1-benzofuran-5-carboxamide is Cn1nc(NC(=O)c2ccc3occc3c2)c2c(N3CCOCC3)cccc21.
What is the InChIKey of N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-1-benzofuran-5-carboxamide?
The InChIKey is FSKWLBJVGXFMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-24-16-3-2-4-17(25-8-11-27-12-9-25)19(16)20(23-24)22-21(26)15-5-6-18-14(13-15)7-10-28-18/h2-7,10,13H,8-9,11-12H2,1H3,(H,22,23,26).
What are the key properties of N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-1-benzofuran-5-carboxamide?
N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-1-benzofuran-5-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4-morpholin-4-ylindazol-3-yl)-1-benzofuran-5-carboxamide is sourced from PubChem (CID 70740170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).