N-[5-(furan-2-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide

C21H19N3O3 — CID 135848038

IUPACN-[5-(furan-2-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(-c3ccco3)cc12
InChIInChI=1S/C21H19N3O3/c1-2-4-20(26)22-21-17-11-16(19-5-3-10-27-19)15(12-18(17)23-24-21)13-6-8-14(25)9-7-13/h3,5-12,25H,2,4H2,1H3,(H2,22,23,24,26)
InChIKeyXIPSRSJZRHACBD-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.93
Rot. Bonds5

About N-[5-(furan-2-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide

N-[5-(furan-2-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide (PubChem CID 135848038) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide
PubChem CID135848038
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC NameN-[5-(furan-2-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(-c3ccco3)cc12
InChIInChI=1S/C21H19N3O3/c1-2-4-20(26)22-21-17-11-16(19-5-3-10-27-19)15(12-18(17)23-24-21)13-6-8-14(25)9-7-13/h3,5-12,25H,2,4H2,1H3,(H2,22,23,24,26)
InChIKeyXIPSRSJZRHACBD-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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Related Compounds

N-(6-(furan-3-yl)-1H-indazol-3-yl)butyramide
CID 9993220
N-[6-(furan-2-yl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539609
N-[6-(furan-3-yl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539610
Fgfr2-IN-1
CID 157049296
N-(5-(furan-3-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl)butyramide
CID 135848030
N-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-2-(prop-2-enoylamino)benzamide
CID 162658664
N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]-4-(2-morpholin-4-ylethoxy)benzamide
CID 137635105
4-[2-(dimethylamino)ethoxy]-N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]benzamide
CID 137637875
N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]-3-methoxybenzamide
CID 137641094
N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 137647060
N-[6-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-indazol-3-yl]-4-(2-piperidin-1-ylethoxy)benzamide
CID 137652300
N-[6-(4-hydroxyphenyl)-1H-indazol-3-yl]-4-methoxybenzamide
CID 137654300

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[5-(furan-2-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide (CID 135848038) is N-[5-(furan-2-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[5-(furan-2-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[5-(furan-2-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(-c3ccco3)cc12.
What is the InChIKey of N-[5-(furan-2-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide?
The InChIKey is XIPSRSJZRHACBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-2-4-20(26)22-21-17-11-16(19-5-3-10-27-19)15(12-18(17)23-24-21)13-6-8-14(25)9-7-13/h3,5-12,25H,2,4H2,1H3,(H2,22,23,24,26).
What are the key properties of N-[5-(furan-2-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide?
N-[5-(furan-2-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-2-yl)-6-(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 135848038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).