5-chloro-6-[(2R)-1-methoxybutan-2-yl]oxy-1-(oxan-2-yl)indazole

C17H23ClN2O3 — CID 135274155

IUPAC5-chloro-6-[(2R)-1-methoxybutan-2-yl]oxy-1-(oxan-2-yl)indazole
SMILESCC[C@H](COC)Oc1cc2c(cnn2C2CCCCO2)cc1Cl
InChIInChI=1S/C17H23ClN2O3/c1-3-13(11-21-2)23-16-9-15-12(8-14(16)18)10-19-20(15)17-6-4-5-7-22-17/h8-10,13,17H,3-7,11H2,1-2H3/t13-,17?/m1/s1
InChIKeyRPZBYKVWJABTDM-FWJOYPJLSA-N
MW338.84 g/mol
LogP4.19
Rot. Bonds6

About 5-chloro-6-[(2R)-1-methoxybutan-2-yl]oxy-1-(oxan-2-yl)indazole

5-chloro-6-[(2R)-1-methoxybutan-2-yl]oxy-1-(oxan-2-yl)indazole (PubChem CID 135274155) has the molecular formula C17H23ClN2O3 and a molecular weight of 338.84 g/mol. Its IUPAC name is 5-chloro-6-[(2R)-1-methoxybutan-2-yl]oxy-1-(oxan-2-yl)indazole.

Molecular Properties

Compound Name5-chloro-6-[(2R)-1-methoxybutan-2-yl]oxy-1-(oxan-2-yl)indazole
PubChem CID135274155
Molecular FormulaC17H23ClN2O3
Molecular Weight338.84 g/mol
Exact Mass338.14
IUPAC Name5-chloro-6-[(2R)-1-methoxybutan-2-yl]oxy-1-(oxan-2-yl)indazole
SMILESCC[C@H](COC)Oc1cc2c(cnn2C2CCCCO2)cc1Cl
InChIInChI=1S/C17H23ClN2O3/c1-3-13(11-21-2)23-16-9-15-12(8-14(16)18)10-19-20(15)17-6-4-5-7-22-17/h8-10,13,17H,3-7,11H2,1-2H3/t13-,17?/m1/s1
InChIKeyRPZBYKVWJABTDM-FWJOYPJLSA-N
XLogP4.19
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-chloro-6-[(2R)-1-methoxybutan-2-yl]oxy-1-(oxan-2-yl)indazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(2R)-1-methoxybutan-2-yl]oxy-1-(oxan-2-yl)indazole?
The IUPAC name of 5-chloro-6-[(2R)-1-methoxybutan-2-yl]oxy-1-(oxan-2-yl)indazole (CID 135274155) is 5-chloro-6-[(2R)-1-methoxybutan-2-yl]oxy-1-(oxan-2-yl)indazole.
What is the SMILES notation for 5-chloro-6-[(2R)-1-methoxybutan-2-yl]oxy-1-(oxan-2-yl)indazole?
The canonical SMILES for 5-chloro-6-[(2R)-1-methoxybutan-2-yl]oxy-1-(oxan-2-yl)indazole is CC[C@H](COC)Oc1cc2c(cnn2C2CCCCO2)cc1Cl.
What is the InChIKey of 5-chloro-6-[(2R)-1-methoxybutan-2-yl]oxy-1-(oxan-2-yl)indazole?
The InChIKey is RPZBYKVWJABTDM-FWJOYPJLSA-N. The full InChI is InChI=1S/C17H23ClN2O3/c1-3-13(11-21-2)23-16-9-15-12(8-14(16)18)10-19-20(15)17-6-4-5-7-22-17/h8-10,13,17H,3-7,11H2,1-2H3/t13-,17?/m1/s1.
What are the key properties of 5-chloro-6-[(2R)-1-methoxybutan-2-yl]oxy-1-(oxan-2-yl)indazole?
5-chloro-6-[(2R)-1-methoxybutan-2-yl]oxy-1-(oxan-2-yl)indazole has a molecular weight of 338.84 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(2R)-1-methoxybutan-2-yl]oxy-1-(oxan-2-yl)indazole is sourced from PubChem (CID 135274155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).