tert-butyl 2-(5-hydroxy-1H-indazol-3-yl)-5-(2-morpholin-4-ylethoxy)indole-1-carboxylate

C26H30N4O5 — CID 141116657

IUPACtert-butyl 2-(5-hydroxy-1H-indazol-3-yl)-5-(2-morpholin-4-ylethoxy)indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(-c2n[nH]c3ccc(O)cc23)cc2cc(OCCN3CCOCC3)ccc21
InChIInChI=1S/C26H30N4O5/c1-26(2,3)35-25(32)30-22-7-5-19(34-13-10-29-8-11-33-12-9-29)14-17(22)15-23(30)24-20-16-18(31)4-6-21(20)27-28-24/h4-7,14-16,31H,8-13H2,1-3H3,(H,27,28)
InChIKeyRXPSYHCKCDRONX-UHFFFAOYSA-N
MW478.55 g/mol
LogP4.38
Rot. Bonds5

About tert-butyl 2-(5-hydroxy-1H-indazol-3-yl)-5-(2-morpholin-4-ylethoxy)indole-1-carboxylate

tert-butyl 2-(5-hydroxy-1H-indazol-3-yl)-5-(2-morpholin-4-ylethoxy)indole-1-carboxylate (PubChem CID 141116657) has the molecular formula C26H30N4O5 and a molecular weight of 478.55 g/mol. Its IUPAC name is tert-butyl 2-(5-hydroxy-1H-indazol-3-yl)-5-(2-morpholin-4-ylethoxy)indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(5-hydroxy-1H-indazol-3-yl)-5-(2-morpholin-4-ylethoxy)indole-1-carboxylate
PubChem CID141116657
Molecular FormulaC26H30N4O5
Molecular Weight478.55 g/mol
Exact Mass478.22
IUPAC Nametert-butyl 2-(5-hydroxy-1H-indazol-3-yl)-5-(2-morpholin-4-ylethoxy)indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(-c2n[nH]c3ccc(O)cc23)cc2cc(OCCN3CCOCC3)ccc21
InChIInChI=1S/C26H30N4O5/c1-26(2,3)35-25(32)30-22-7-5-19(34-13-10-29-8-11-33-12-9-29)14-17(22)15-23(30)24-20-16-18(31)4-6-21(20)27-28-24/h4-7,14-16,31H,8-13H2,1-3H3,(H,27,28)
InChIKeyRXPSYHCKCDRONX-UHFFFAOYSA-N
XLogP4.38
TPSA101.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl 2-(5-hydroxy-1H-indazol-3-yl)-5-(2-morpholin-4-ylethoxy)indole-1-carboxylate with MolForge

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Related Compounds

3-{2-[5-(benzyloxy)-2-methyl-1H-indol-3-yl]ethyl}-4-hydroxy-4,5,5-trimethyl-1,3-oxazolidin-2-one
CID 4613311
N-[2-[[2-(1H-indazol-3-yl)-1H-indol-4-yl]oxy]ethyl]propanamide
CID 156010028
1'-(2-Phenoxyethyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-pyrrolidine]-6-ol
CID 58792220
2-[[2-[6-methoxy-1'-(2-phenoxyethyl)spiro[4,9-dihydro-3H-pyrido[3,4-b]indole-1,3'-pyrrolidine]-2-yl]-2-oxoethyl]amino]acetic acid
CID 69730560
US20230357269, Example 2
CID 163474508
US20230357269, Example 122
CID 166835841
US20230357269, Example 92
CID 166835853
(13R)-5-methoxy-13-methyl-8,14-dioxa-
CID 166835878
US20230357269, Example 6
CID 166835896
US20230357269, Example 136
CID 166835950
[1'-(2-phenoxyethyl)spiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3'-pyrrolidine]-6-yl] N,N-dimethylcarbamate
CID 172437771
N-[3-(1-ethyl-5-methoxy-1H-indol-2-yl)-1H-pyrazol-5-yl]-2-phenoxyacetamide
CID 50848595

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-hydroxy-1H-indazol-3-yl)-5-(2-morpholin-4-ylethoxy)indole-1-carboxylate?
The IUPAC name of tert-butyl 2-(5-hydroxy-1H-indazol-3-yl)-5-(2-morpholin-4-ylethoxy)indole-1-carboxylate (CID 141116657) is tert-butyl 2-(5-hydroxy-1H-indazol-3-yl)-5-(2-morpholin-4-ylethoxy)indole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(5-hydroxy-1H-indazol-3-yl)-5-(2-morpholin-4-ylethoxy)indole-1-carboxylate?
The canonical SMILES for tert-butyl 2-(5-hydroxy-1H-indazol-3-yl)-5-(2-morpholin-4-ylethoxy)indole-1-carboxylate is CC(C)(C)OC(=O)n1c(-c2n[nH]c3ccc(O)cc23)cc2cc(OCCN3CCOCC3)ccc21.
What is the InChIKey of tert-butyl 2-(5-hydroxy-1H-indazol-3-yl)-5-(2-morpholin-4-ylethoxy)indole-1-carboxylate?
The InChIKey is RXPSYHCKCDRONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O5/c1-26(2,3)35-25(32)30-22-7-5-19(34-13-10-29-8-11-33-12-9-29)14-17(22)15-23(30)24-20-16-18(31)4-6-21(20)27-28-24/h4-7,14-16,31H,8-13H2,1-3H3,(H,27,28).
What are the key properties of tert-butyl 2-(5-hydroxy-1H-indazol-3-yl)-5-(2-morpholin-4-ylethoxy)indole-1-carboxylate?
tert-butyl 2-(5-hydroxy-1H-indazol-3-yl)-5-(2-morpholin-4-ylethoxy)indole-1-carboxylate has a molecular weight of 478.55 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5-hydroxy-1H-indazol-3-yl)-5-(2-morpholin-4-ylethoxy)indole-1-carboxylate is sourced from PubChem (CID 141116657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).