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

C23H21N3O3 — CID 135848037

IUPACN-[5,6-bis(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)cc12
InChIInChI=1S/C23H21N3O3/c1-2-3-22(29)24-23-20-12-18(14-4-8-16(27)9-5-14)19(13-21(20)25-26-23)15-6-10-17(28)11-7-15/h4-13,27-28H,2-3H2,1H3,(H2,24,25,26,29)
InChIKeyQFQMQSXVPSIHEG-UHFFFAOYSA-N
MW387.44 g/mol
LogP5.05
Rot. Bonds5

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

N-[5,6-bis(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide (PubChem CID 135848037) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[5,6-bis(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide.

Molecular Properties

Compound NameN-[5,6-bis(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide
PubChem CID135848037
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-[5,6-bis(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide
SMILESCCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)cc12
InChIInChI=1S/C23H21N3O3/c1-2-3-22(29)24-23-20-12-18(14-4-8-16(27)9-5-14)19(13-21(20)25-26-23)15-6-10-17(28)11-7-15/h4-13,27-28H,2-3H2,1H3,(H2,24,25,26,29)
InChIKeyQFQMQSXVPSIHEG-UHFFFAOYSA-N
XLogP5.05
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.44
LogP ≤ 55.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-chlorophenyl)-1H-indazol-3-yl]butanamide
CID 22319587
N-[6-(4-methylsulfanylphenyl)-1H-indazol-3-yl]butanamide
CID 22319566
N-[6-(2,5-difluorophenyl)-1H-indazol-3-yl]butanamide
CID 69065883
4-[3-amino-6-(4-hydroxyphenyl)-1H-indazol-5-yl]phenol
CID 135848029
N-[5-(diethylamino)-1H-indazol-3-yl]-2-(4-hydroxyphenyl)acetamide
CID 142656198
N-[6-chloro-5-(furan-3-yl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-hydroxyphenyl)-1H-indazol-3-yl]butanamide;N-[6-(2-chloro-4-phenylmethoxyphenyl)-1H-indazol-3-yl]butanamide
CID 158121327
N-(5-pyridin-3-yl-1H-thieno[3,2-c]pyrazol-3-yl)butanamide
CID 156775018
N-[6-(4-chlorophenyl)-1H-indazol-3-yl]-N'-hydroxyoctanediamide
CID 162667220
(6-hydroxy-1H-indazol-3-yl)urea
CID 174460689
4-amino-N-[5-(diethylamino)-1H-indazol-3-yl]butanamide
CID 142656171
2-phenyl-N-(5-phenyl-1H-indazol-3-yl)acetamide
CID 169493092
N-butyl-5,6-bis(4-phenylmethoxyphenyl)-1H-indazol-3-amine
CID 150867512

Frequently Asked Questions

What is the IUPAC name of N-[5,6-bis(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide?
The IUPAC name of N-[5,6-bis(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide (CID 135848037) is N-[5,6-bis(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide.
What is the SMILES notation for N-[5,6-bis(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide?
The canonical SMILES for N-[5,6-bis(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide is CCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)cc12.
What is the InChIKey of N-[5,6-bis(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide?
The InChIKey is QFQMQSXVPSIHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3/c1-2-3-22(29)24-23-20-12-18(14-4-8-16(27)9-5-14)19(13-21(20)25-26-23)15-6-10-17(28)11-7-15/h4-13,27-28H,2-3H2,1H3,(H2,24,25,26,29).
What are the key properties of N-[5,6-bis(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide?
N-[5,6-bis(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide has a molecular weight of 387.44 g/mol, XLogP of 5.05, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-bis(4-hydroxyphenyl)-1H-indazol-3-yl]butanamide is sourced from PubChem (CID 135848037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).