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

C33H36N4O5 — CID 141116647

IUPACtert-butyl 5-(2-morpholin-4-ylethoxy)-2-(4-phenylmethoxy-1H-indazol-3-yl)indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(-c2n[nH]c3cccc(OCc4ccccc4)c23)cc2cc(OCCN3CCOCC3)ccc21
InChIInChI=1S/C33H36N4O5/c1-33(2,3)42-32(38)37-27-13-12-25(40-19-16-36-14-17-39-18-15-36)20-24(27)21-28(37)31-30-26(34-35-31)10-7-11-29(30)41-22-23-8-5-4-6-9-23/h4-13,20-21H,14-19,22H2,1-3H3,(H,34,35)
InChIKeyPGBXDSLOAVQIEV-UHFFFAOYSA-N
MW568.67 g/mol
LogP6.26
Rot. Bonds8

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

tert-butyl 5-(2-morpholin-4-ylethoxy)-2-(4-phenylmethoxy-1H-indazol-3-yl)indole-1-carboxylate (PubChem CID 141116647) has the molecular formula C33H36N4O5 and a molecular weight of 568.67 g/mol. Its IUPAC name is tert-butyl 5-(2-morpholin-4-ylethoxy)-2-(4-phenylmethoxy-1H-indazol-3-yl)indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-(2-morpholin-4-ylethoxy)-2-(4-phenylmethoxy-1H-indazol-3-yl)indole-1-carboxylate
PubChem CID141116647
Molecular FormulaC33H36N4O5
Molecular Weight568.67 g/mol
Exact Mass568.27
IUPAC Nametert-butyl 5-(2-morpholin-4-ylethoxy)-2-(4-phenylmethoxy-1H-indazol-3-yl)indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(-c2n[nH]c3cccc(OCc4ccccc4)c23)cc2cc(OCCN3CCOCC3)ccc21
InChIInChI=1S/C33H36N4O5/c1-33(2,3)42-32(38)37-27-13-12-25(40-19-16-36-14-17-39-18-15-36)20-24(27)21-28(37)31-30-26(34-35-31)10-7-11-29(30)41-22-23-8-5-4-6-9-23/h4-13,20-21H,14-19,22H2,1-3H3,(H,34,35)
InChIKeyPGBXDSLOAVQIEV-UHFFFAOYSA-N
XLogP6.26
TPSA90.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500568.67
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Launch Full Analysis

Related Compounds

N-[2-[[2-(1H-indazol-3-yl)-1H-indol-4-yl]oxy]ethyl]propanamide
CID 156010028
N-[2-[[2-(6-methyl-1H-indazol-3-yl)-1H-indol-4-yl]oxy]ethyl]prop-2-enamide
CID 156010226
N-[2-[[2-[6-(difluoromethyl)-1H-indazol-3-yl]-6-[oxan-4-yloxy(phenyl)methyl]-1H-indol-4-yl]oxy]ethyl]prop-2-enamide
CID 156010360
N-[2-[[2-[6-(difluoromethyl)-1H-indazol-3-yl]-1H-indol-4-yl]oxy]ethyl]but-2-ynamide
CID 156010793
N-[2-[[6-[but-3-ynoxy(phenyl)methyl]-2-[6-(difluoromethyl)-1H-indazol-3-yl]-1H-indol-4-yl]oxy]ethyl]prop-2-enamide
CID 156011420
2-[[2-(1H-indazol-3-yl)-1H-indol-4-yl]oxy]ethanamine
CID 156013260
N-[2-[[2-(1H-indazol-3-yl)-1H-indol-4-yl]oxy]ethyl]prop-2-enamide
CID 156013524
N-[2-[[2-(6-methyl-1H-indazol-3-yl)-1H-indol-4-yl]oxy]ethyl]propanamide
CID 156014019
N-[2-[[2-[6-(difluoromethyl)-1H-indazol-3-yl]-6-[(3-methoxyphenyl)methyl]-1H-indol-4-yl]oxy]ethyl]prop-2-enamide
CID 156014541
N-[2-[[2-[6-(difluoromethyl)-1H-indazol-3-yl]-6-[(2,4,6-trimethylphenyl)methyl]-1H-indol-4-yl]oxy]ethyl]prop-2-enamide
CID 156014873
N-[2-[[2-[6-(difluoromethyl)-1H-indazol-3-yl]-6-[hydroxy(diphenyl)methyl]-1H-indol-4-yl]oxy]ethyl]prop-2-enamide
CID 156014908
N-[2-[[2-[6-(difluoromethyl)-1H-indazol-3-yl]-1H-indol-4-yl]oxy]ethyl]propanamide
CID 156015764

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-(2-morpholin-4-ylethoxy)-2-(4-phenylmethoxy-1H-indazol-3-yl)indole-1-carboxylate?
The IUPAC name of tert-butyl 5-(2-morpholin-4-ylethoxy)-2-(4-phenylmethoxy-1H-indazol-3-yl)indole-1-carboxylate (CID 141116647) is tert-butyl 5-(2-morpholin-4-ylethoxy)-2-(4-phenylmethoxy-1H-indazol-3-yl)indole-1-carboxylate.
What is the SMILES notation for tert-butyl 5-(2-morpholin-4-ylethoxy)-2-(4-phenylmethoxy-1H-indazol-3-yl)indole-1-carboxylate?
The canonical SMILES for tert-butyl 5-(2-morpholin-4-ylethoxy)-2-(4-phenylmethoxy-1H-indazol-3-yl)indole-1-carboxylate is CC(C)(C)OC(=O)n1c(-c2n[nH]c3cccc(OCc4ccccc4)c23)cc2cc(OCCN3CCOCC3)ccc21.
What is the InChIKey of tert-butyl 5-(2-morpholin-4-ylethoxy)-2-(4-phenylmethoxy-1H-indazol-3-yl)indole-1-carboxylate?
The InChIKey is PGBXDSLOAVQIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N4O5/c1-33(2,3)42-32(38)37-27-13-12-25(40-19-16-36-14-17-39-18-15-36)20-24(27)21-28(37)31-30-26(34-35-31)10-7-11-29(30)41-22-23-8-5-4-6-9-23/h4-13,20-21H,14-19,22H2,1-3H3,(H,34,35).
What are the key properties of tert-butyl 5-(2-morpholin-4-ylethoxy)-2-(4-phenylmethoxy-1H-indazol-3-yl)indole-1-carboxylate?
tert-butyl 5-(2-morpholin-4-ylethoxy)-2-(4-phenylmethoxy-1H-indazol-3-yl)indole-1-carboxylate has a molecular weight of 568.67 g/mol, XLogP of 6.26, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-(2-morpholin-4-ylethoxy)-2-(4-phenylmethoxy-1H-indazol-3-yl)indole-1-carboxylate is sourced from PubChem (CID 141116647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).