5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]amino]-4,4-dimethylpentanoic acid

C19H26ClN3O3 — CID 175143835

IUPAC5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]amino]-4,4-dimethylpentanoic acid
SMILESCC(C)(CCC(=O)O)CNc1cc2c(cnn2C2CCCCO2)cc1Cl
InChIInChI=1S/C19H26ClN3O3/c1-19(2,7-6-18(24)25)12-21-15-10-16-13(9-14(15)20)11-22-23(16)17-5-3-4-8-26-17/h9-11,17,21H,3-8,12H2,1-2H3,(H,24,25)
InChIKeyXPJQYFNMLWGTHM-UHFFFAOYSA-N
MW379.89 g/mol
LogP4.69
Rot. Bonds7

About 5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]amino]-4,4-dimethylpentanoic acid

5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]amino]-4,4-dimethylpentanoic acid (PubChem CID 175143835) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is 5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]amino]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]amino]-4,4-dimethylpentanoic acid
PubChem CID175143835
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]amino]-4,4-dimethylpentanoic acid
SMILESCC(C)(CCC(=O)O)CNc1cc2c(cnn2C2CCCCO2)cc1Cl
InChIInChI=1S/C19H26ClN3O3/c1-19(2,7-6-18(24)25)12-21-15-10-16-13(9-14(15)20)11-22-23(16)17-5-3-4-8-26-17/h9-11,17,21H,3-8,12H2,1-2H3,(H,24,25)
InChIKeyXPJQYFNMLWGTHM-UHFFFAOYSA-N
XLogP4.69
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]amino]-4,4-dimethylpentanoic acid?
The IUPAC name of 5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]amino]-4,4-dimethylpentanoic acid (CID 175143835) is 5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]amino]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]amino]-4,4-dimethylpentanoic acid?
The canonical SMILES for 5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]amino]-4,4-dimethylpentanoic acid is CC(C)(CCC(=O)O)CNc1cc2c(cnn2C2CCCCO2)cc1Cl.
What is the InChIKey of 5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]amino]-4,4-dimethylpentanoic acid?
The InChIKey is XPJQYFNMLWGTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O3/c1-19(2,7-6-18(24)25)12-21-15-10-16-13(9-14(15)20)11-22-23(16)17-5-3-4-8-26-17/h9-11,17,21H,3-8,12H2,1-2H3,(H,24,25).
What are the key properties of 5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]amino]-4,4-dimethylpentanoic acid?
5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]amino]-4,4-dimethylpentanoic acid has a molecular weight of 379.89 g/mol, XLogP of 4.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-chloro-1-(oxan-2-yl)indazol-6-yl]amino]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 175143835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).