3-[[[6-(4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]-methylamino]methyl]azetidine-1-carboxylic acid

C24H28N4O4 — CID 175009264

IUPAC3-[[[6-(4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]-methylamino]methyl]azetidine-1-carboxylic acid
SMILESCN(CC1CN(C(=O)O)C1)c1cc(-c2ccc(O)cc2)cc2c1cnn2C1CCCCO1
InChIInChI=1S/C24H28N4O4/c1-26(13-16-14-27(15-16)24(30)31)21-10-18(17-5-7-19(29)8-6-17)11-22-20(21)12-25-28(22)23-4-2-3-9-32-23/h5-8,10-12,16,23,29H,2-4,9,13-15H2,1H3,(H,30,31)
InChIKeyRMUXUPSRXRIBGK-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.15
Rot. Bonds5

About 3-[[[6-(4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]-methylamino]methyl]azetidine-1-carboxylic acid

3-[[[6-(4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]-methylamino]methyl]azetidine-1-carboxylic acid (PubChem CID 175009264) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 3-[[[6-(4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]-methylamino]methyl]azetidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[[[6-(4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]-methylamino]methyl]azetidine-1-carboxylic acid
PubChem CID175009264
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name3-[[[6-(4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]-methylamino]methyl]azetidine-1-carboxylic acid
SMILESCN(CC1CN(C(=O)O)C1)c1cc(-c2ccc(O)cc2)cc2c1cnn2C1CCCCO1
InChIInChI=1S/C24H28N4O4/c1-26(13-16-14-27(15-16)24(30)31)21-10-18(17-5-7-19(29)8-6-17)11-22-20(21)12-25-28(22)23-4-2-3-9-32-23/h5-8,10-12,16,23,29H,2-4,9,13-15H2,1H3,(H,30,31)
InChIKeyRMUXUPSRXRIBGK-UHFFFAOYSA-N
XLogP4.15
TPSA91.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[[6-(4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]-methylamino]methyl]azetidine-1-carboxylic acid with MolForge

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Related Compounds

tert-butyl N-[3-[6-(4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]oxetan-2-yl]-N-methylcarbamate
CID 175416089
6-(4-fluorophenyl)-1-(oxan-2-yl)indazole-4-carboxylic acid
CID 162677646
4-[7-(cyclopentylmethoxy)-3-(oxan-2-yl)benzotriazol-5-yl]phenol
CID 158191256
1-(oxan-2-yl)-6-[2-(oxan-2-yl)pyrazol-3-yl]indazole-4-carboxylic acid
CID 155167536
[1-[(2S)-oxan-2-yl]indazol-4-yl]boronic acid
CID 125117039
[1-(oxan-2-yl)indazol-4-yl]boronic acid
CID 118993474
4-[2-(oxan-2-yl)pyrazol-3-yl]phenol
CID 162677649
tert-butyl (3S)-3-[[6-bromo-1-(oxan-2-yl)indazol-4-yl]methyl]pyrrolidine-1-carboxylate
CID 154980153
4-[3-[azetidin-3-ylmethyl(methyl)amino]-4-methanimidoyl-5-(oxan-2-ylamino)phenyl]phenol
CID 137474463
6-ethyl-1-(oxan-2-yl)indazol-4-amine
CID 175161622
2-[carboxymethyl-[5-methyl-1-(oxan-2-yl)indazol-6-yl]amino]acetic acid
CID 58135085
tert-butyl 3-[[6-chloro-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxymethyl]azetidine-1-carboxylate;tert-butyl 3-[[6-(4-hydroxyphenyl)-1-(oxan-2-yl)pyrazolo[5,4-d]pyrimidin-4-yl]oxymethyl]azetidine-1-carboxylate;(4-hydroxyphenyl)boronic acid
CID 159988311

Frequently Asked Questions

What is the IUPAC name of 3-[[[6-(4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]-methylamino]methyl]azetidine-1-carboxylic acid?
The IUPAC name of 3-[[[6-(4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]-methylamino]methyl]azetidine-1-carboxylic acid (CID 175009264) is 3-[[[6-(4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]-methylamino]methyl]azetidine-1-carboxylic acid.
What is the SMILES notation for 3-[[[6-(4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]-methylamino]methyl]azetidine-1-carboxylic acid?
The canonical SMILES for 3-[[[6-(4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]-methylamino]methyl]azetidine-1-carboxylic acid is CN(CC1CN(C(=O)O)C1)c1cc(-c2ccc(O)cc2)cc2c1cnn2C1CCCCO1.
What is the InChIKey of 3-[[[6-(4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]-methylamino]methyl]azetidine-1-carboxylic acid?
The InChIKey is RMUXUPSRXRIBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-26(13-16-14-27(15-16)24(30)31)21-10-18(17-5-7-19(29)8-6-17)11-22-20(21)12-25-28(22)23-4-2-3-9-32-23/h5-8,10-12,16,23,29H,2-4,9,13-15H2,1H3,(H,30,31).
What are the key properties of 3-[[[6-(4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]-methylamino]methyl]azetidine-1-carboxylic acid?
3-[[[6-(4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]-methylamino]methyl]azetidine-1-carboxylic acid has a molecular weight of 436.51 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[6-(4-hydroxyphenyl)-1-(oxan-2-yl)indazol-4-yl]-methylamino]methyl]azetidine-1-carboxylic acid is sourced from PubChem (CID 175009264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).