tert-butyl N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-pyridinyl]ethyl]carbamate

C26H25F2N3O3 — CID 71185134

IUPACtert-butyl N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-pyridinyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C26H25F2N3O3/c1-26(2,3)34-25(33)31-22(11-15-9-18(27)14-19(28)10-15)24-20(5-4-8-29-24)16-6-7-21-17(12-16)13-23(32)30-21/h4-10,12,14,22H,11,13H2,1-3H3,(H,30,32)(H,31,33)/t22-/m0/s1
InChIKeyFHSKTBDIDJNSDJ-QFIPXVFZSA-N
MW465.50 g/mol
LogP5.33
Rot. Bonds5

About tert-butyl N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-pyridinyl]ethyl]carbamate

tert-butyl N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-pyridinyl]ethyl]carbamate (PubChem CID 71185134) has the molecular formula C26H25F2N3O3 and a molecular weight of 465.50 g/mol. Its IUPAC name is tert-butyl N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-pyridinyl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-pyridinyl]ethyl]carbamate
PubChem CID71185134
Molecular FormulaC26H25F2N3O3
Molecular Weight465.50 g/mol
Exact Mass465.19
IUPAC Nametert-butyl N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-pyridinyl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc2c(c1)CC(=O)N2
InChIInChI=1S/C26H25F2N3O3/c1-26(2,3)34-25(33)31-22(11-15-9-18(27)14-19(28)10-15)24-20(5-4-8-29-24)16-6-7-21-17(12-16)13-23(32)30-21/h4-10,12,14,22H,11,13H2,1-3H3,(H,30,32)(H,31,33)/t22-/m0/s1
InChIKeyFHSKTBDIDJNSDJ-QFIPXVFZSA-N
XLogP5.33
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.50
LogP ≤ 55.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(1S)-1-[3-(3-cyanophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]carbamate
CID 71204533
tert-butyl N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(3-oxo-1,2-dihydroisoindol-5-yl)quinoxalin-2-yl]ethyl]carbamate
CID 154629000
tert-butyl (3R)-4-(3,5-difluorophenyl)-3-[3-(2-oxo-1,3-dihydroindol-4-yl)-2-pyridinyl]butanoate
CID 159831633
tert-butyl (2R)-2-[[(1S)-1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]carbamoyl]-5-oxopyrrolidine-1-carboxylate
CID 90162684
tert-butyl N-[1-[5-(3-carbamoyl-4-fluorophenyl)pyrimidin-4-yl]-2-(3,5-difluorophenyl)ethyl]carbamate
CID 71185281
tert-butyl N-[(1S)-2-(3,5-difluorophenyl)-1-(4-oxopyrido[2,3-d][1,3]oxazin-2-yl)ethyl]carbamate
CID 154628975
tert-butyl 2-[[1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]carbamoyl]-5-ethylpyrrolidine-1-carboxylate
CID 123715324
tert-butyl (3R)-3-[3-(4-chlorophenyl)-2-pyridinyl]-4-(3,5-difluorophenyl)butanoate
CID 158805263
tert-butyl N-[(1S)-1-(3,6-dibromo-2-pyridinyl)-2-(3,5-difluorophenyl)ethyl]carbamate
CID 90290190
N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-2-(6-fluoro-2-methyl-3H-inden-1-yl)acetamide
CID 157400907
tert-butyl 2-(1-amino-2,2,2-trifluoroethylidene)-3-[2-[[(1S)-1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]amino]-2-oxoethyl]iminopyrrolidine-1-carboxylate
CID 144505188
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-fluoro-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 71204627

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-pyridinyl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-pyridinyl]ethyl]carbamate (CID 71185134) is tert-butyl N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-pyridinyl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-pyridinyl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-pyridinyl]ethyl]carbamate is CC(C)(C)OC(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc2c(c1)CC(=O)N2.
What is the InChIKey of tert-butyl N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-pyridinyl]ethyl]carbamate?
The InChIKey is FHSKTBDIDJNSDJ-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H25F2N3O3/c1-26(2,3)34-25(33)31-22(11-15-9-18(27)14-19(28)10-15)24-20(5-4-8-29-24)16-6-7-21-17(12-16)13-23(32)30-21/h4-10,12,14,22H,11,13H2,1-3H3,(H,30,32)(H,31,33)/t22-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-pyridinyl]ethyl]carbamate?
tert-butyl N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-pyridinyl]ethyl]carbamate has a molecular weight of 465.50 g/mol, XLogP of 5.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(2-oxo-1,3-dihydroindol-5-yl)-2-pyridinyl]ethyl]carbamate is sourced from PubChem (CID 71185134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).