3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide

C24H23N3O3 — CID 22260818

IUPAC3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide
SMILESCC(C)(O)CC(=O)Nc1ccc2[nH]nc(-c3ccc(Oc4ccccc4)cc3)c2c1
InChIInChI=1S/C24H23N3O3/c1-24(2,29)15-22(28)25-17-10-13-21-20(14-17)23(27-26-21)16-8-11-19(12-9-16)30-18-6-4-3-5-7-18/h3-14,29H,15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyGZOUCPSCNFKHOE-UHFFFAOYSA-N
MW401.47 g/mol
LogP5.12
Rot. Bonds6

About 3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide

3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide (PubChem CID 22260818) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide.

Molecular Properties

Compound Name3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide
PubChem CID22260818
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide
SMILESCC(C)(O)CC(=O)Nc1ccc2[nH]nc(-c3ccc(Oc4ccccc4)cc3)c2c1
InChIInChI=1S/C24H23N3O3/c1-24(2,29)15-22(28)25-17-10-13-21-20(14-17)23(27-26-21)16-8-11-19(12-9-16)30-18-6-4-3-5-7-18/h3-14,29H,15H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyGZOUCPSCNFKHOE-UHFFFAOYSA-N
XLogP5.12
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.47
LogP ≤ 55.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfonyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]benzenesulfonamide
CID 22567097
4-[[3-(4-methoxyphenyl)-1H-indazol-5-yl]carbamoyl]benzoic acid
CID 22479778
4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]benzoic acid
CID 22479735
N-[3-(4-phosphanylphenyl)-1H-indazol-5-yl]acetamide
CID 143488725
N-[3-(4-fluorophenyl)-1H-indazol-5-yl]-2-methoxybenzamide
CID 22479909
2-[4-[(3-phenyl-1H-indazol-5-yl)carbamoyl]phenyl]acetic acid
CID 142112726
2-methoxy-N-(3-thiophen-3-yl-1H-indazol-5-yl)acetamide
CID 22260870
N-[3-(1,3-oxazol-2-yl)-1H-indazol-5-yl]-2-(4-phenylmethoxyphenyl)acetamide
CID 24989114
2-[3-amino-4-(4-phenoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-6-yl]acetohydrazide
CID 50996170
N-[3-(4-methoxyphenyl)-1H-indazol-5-yl]-2-methylsulfonylbenzenesulfonamide
CID 22567224
methyl 4-[[3-(4-fluorophenyl)-1H-indazol-5-yl]carbamoyl]benzoate
CID 22479901
N-[3-[5-[5-[(dimethylamino)methyl]-1H-1,2,4-triazol-3-yl]-1H-indazol-3-yl]phenyl]-3,3-dimethylbutanamide
CID 22479849

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide?
The IUPAC name of 3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide (CID 22260818) is 3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide.
What is the SMILES notation for 3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide?
The canonical SMILES for 3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide is CC(C)(O)CC(=O)Nc1ccc2[nH]nc(-c3ccc(Oc4ccccc4)cc3)c2c1.
What is the InChIKey of 3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide?
The InChIKey is GZOUCPSCNFKHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-24(2,29)15-22(28)25-17-10-13-21-20(14-17)23(27-26-21)16-8-11-19(12-9-16)30-18-6-4-3-5-7-18/h3-14,29H,15H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide?
3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide has a molecular weight of 401.47 g/mol, XLogP of 5.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-N-[3-(4-phenoxyphenyl)-1H-indazol-5-yl]butanamide is sourced from PubChem (CID 22260818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).