tert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]phenyl]carbamate

C26H31FN4O4 — CID 158270107

IUPACtert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(F)ccc1CC(=O)c1ccc2c(cnn2CCN2CCOCC2)c1
InChIInChI=1S/C26H31FN4O4/c1-26(2,3)35-25(33)29-22-16-21(27)6-4-18(22)15-24(32)19-5-7-23-20(14-19)17-28-31(23)9-8-30-10-12-34-13-11-30/h4-7,14,16-17H,8-13,15H2,1-3H3,(H,29,33)
InChIKeyUGWVONQWVNTWHD-UHFFFAOYSA-N
MW482.56 g/mol
LogP4.28
Rot. Bonds7

About tert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]phenyl]carbamate

tert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]phenyl]carbamate (PubChem CID 158270107) has the molecular formula C26H31FN4O4 and a molecular weight of 482.56 g/mol. Its IUPAC name is tert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]phenyl]carbamate
PubChem CID158270107
Molecular FormulaC26H31FN4O4
Molecular Weight482.56 g/mol
Exact Mass482.23
IUPAC Nametert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(F)ccc1CC(=O)c1ccc2c(cnn2CCN2CCOCC2)c1
InChIInChI=1S/C26H31FN4O4/c1-26(2,3)35-25(33)29-22-16-21(27)6-4-18(22)15-24(32)19-5-7-23-20(14-19)17-28-31(23)9-8-30-10-12-34-13-11-30/h4-7,14,16-17H,8-13,15H2,1-3H3,(H,29,33)
InChIKeyUGWVONQWVNTWHD-UHFFFAOYSA-N
XLogP4.28
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]phenyl]carbamate (CID 158270107) is tert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1cc(F)ccc1CC(=O)c1ccc2c(cnn2CCN2CCOCC2)c1.
What is the InChIKey of tert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]phenyl]carbamate?
The InChIKey is UGWVONQWVNTWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN4O4/c1-26(2,3)35-25(33)29-22-16-21(27)6-4-18(22)15-24(32)19-5-7-23-20(14-19)17-28-31(23)9-8-30-10-12-34-13-11-30/h4-7,14,16-17H,8-13,15H2,1-3H3,(H,29,33).
What are the key properties of tert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]phenyl]carbamate?
tert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]phenyl]carbamate has a molecular weight of 482.56 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-fluoro-2-[2-[1-(2-morpholin-4-ylethyl)indazol-5-yl]-2-oxoethyl]phenyl]carbamate is sourced from PubChem (CID 158270107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).