methyl 2-[3-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]indazol-1-yl]acetate

C24H31N3O3 — CID 118565693

IUPACmethyl 2-[3-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]indazol-1-yl]acetate
SMILESCOC(=O)Cn1nc(-c2cccc(OCCN(C(C)C)C(C)C)c2)c2ccccc21
InChIInChI=1S/C24H31N3O3/c1-17(2)26(18(3)4)13-14-30-20-10-8-9-19(15-20)24-21-11-6-7-12-22(21)27(25-24)16-23(28)29-5/h6-12,15,17-18H,13-14,16H2,1-5H3
InChIKeyLGAWNFKKUXMVNE-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.37
Rot. Bonds9

About methyl 2-[3-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]indazol-1-yl]acetate

methyl 2-[3-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]indazol-1-yl]acetate (PubChem CID 118565693) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is methyl 2-[3-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]indazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]indazol-1-yl]acetate
PubChem CID118565693
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Namemethyl 2-[3-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]indazol-1-yl]acetate
SMILESCOC(=O)Cn1nc(-c2cccc(OCCN(C(C)C)C(C)C)c2)c2ccccc21
InChIInChI=1S/C24H31N3O3/c1-17(2)26(18(3)4)13-14-30-20-10-8-9-19(15-20)24-21-11-6-7-12-22(21)27(25-24)16-23(28)29-5/h6-12,15,17-18H,13-14,16H2,1-5H3
InChIKeyLGAWNFKKUXMVNE-UHFFFAOYSA-N
XLogP4.37
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]indazol-1-yl]acetate?
The IUPAC name of methyl 2-[3-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]indazol-1-yl]acetate (CID 118565693) is methyl 2-[3-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]indazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]indazol-1-yl]acetate?
The canonical SMILES for methyl 2-[3-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]indazol-1-yl]acetate is COC(=O)Cn1nc(-c2cccc(OCCN(C(C)C)C(C)C)c2)c2ccccc21.
What is the InChIKey of methyl 2-[3-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]indazol-1-yl]acetate?
The InChIKey is LGAWNFKKUXMVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-17(2)26(18(3)4)13-14-30-20-10-8-9-19(15-20)24-21-11-6-7-12-22(21)27(25-24)16-23(28)29-5/h6-12,15,17-18H,13-14,16H2,1-5H3.
What are the key properties of methyl 2-[3-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]indazol-1-yl]acetate?
methyl 2-[3-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]indazol-1-yl]acetate has a molecular weight of 409.53 g/mol, XLogP of 4.37, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[3-[2-[di(propan-2-yl)amino]ethoxy]phenyl]indazol-1-yl]acetate is sourced from PubChem (CID 118565693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).