N-[5-(furan-3-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide

C21H19N3O3 — CID 135848030

IUPACN-[5-(furan-3-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(-c3ccoc3)cc12
InChIInChI=1S/C21H19N3O3/c1-2-3-20(26)22-21-18-10-16(14-8-9-27-12-14)17(11-19(18)23-24-21)13-4-6-15(25)7-5-13/h4-12,25H,2-3H2,1H3,(H2,22,23,24,26)
InChIKeyNXBUNGONSJSJHG-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.93
Rot. Bonds5

About N-[5-(furan-3-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide

N-[5-(furan-3-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide (PubChem CID 135848030) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[5-(furan-3-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[5-(furan-3-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide
PubChem CID135848030
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-[5-(furan-3-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(-c3ccoc3)cc12
InChIInChI=1S/C21H19N3O3/c1-2-3-20(26)22-21-18-10-16(14-8-9-27-12-14)17(11-19(18)23-24-21)13-4-6-15(25)7-5-13/h4-12,25H,2-3H2,1H3,(H2,22,23,24,26)
InChIKeyNXBUNGONSJSJHG-UHFFFAOYSA-N
XLogP4.93
TPSA91.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-3-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[5-(furan-3-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide (CID 135848030) is N-[5-(furan-3-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[5-(furan-3-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[5-(furan-3-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(-c3ccoc3)cc12.
What is the InChIKey of N-[5-(furan-3-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide?
The InChIKey is NXBUNGONSJSJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-2-3-20(26)22-21-18-10-16(14-8-9-27-12-14)17(11-19(18)23-24-21)13-4-6-15(25)7-5-13/h4-12,25H,2-3H2,1H3,(H2,22,23,24,26).
What are the key properties of N-[5-(furan-3-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide?
N-[5-(furan-3-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide has a molecular weight of 361.40 g/mol, XLogP of 4.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-3-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 135848030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).