tert-butyl N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]carbamate

C14H18F3N5O3 — CID 154642710

IUPACtert-butyl N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(CN2C[C@@H](C(F)(F)F)NC2=O)cnn1
InChIInChI=1S/C14H18F3N5O3/c1-13(2,3)25-12(24)20-10-4-8(5-18-21-10)6-22-7-9(14(15,16)17)19-11(22)23/h4-5,9H,6-7H2,1-3H3,(H,19,23)(H,20,21,24)/t9-/m0/s1
InChIKeyXYELTXHYFRUJGG-VIFPVBQESA-N
MW361.32 g/mol
LogP2.28
Rot. Bonds3

About tert-butyl N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]carbamate

tert-butyl N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]carbamate (PubChem CID 154642710) has the molecular formula C14H18F3N5O3 and a molecular weight of 361.32 g/mol. Its IUPAC name is tert-butyl N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]carbamate
PubChem CID154642710
Molecular FormulaC14H18F3N5O3
Molecular Weight361.32 g/mol
Exact Mass361.14
IUPAC Nametert-butyl N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cc(CN2C[C@@H](C(F)(F)F)NC2=O)cnn1
InChIInChI=1S/C14H18F3N5O3/c1-13(2,3)25-12(24)20-10-4-8(5-18-21-10)6-22-7-9(14(15,16)17)19-11(22)23/h4-5,9H,6-7H2,1-3H3,(H,19,23)(H,20,21,24)/t9-/m0/s1
InChIKeyXYELTXHYFRUJGG-VIFPVBQESA-N
XLogP2.28
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-oxo-2-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]ethyl]carbamate
CID 171790739
N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-3-pyridinyl]acetamide
CID 177253553
2-amino-2-(4-fluorocyclohexyl)-N-[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide
CID 177253596
methyl (5S)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]methyl]-2-oxo-5-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 171790813
N-[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-1-oxo-1-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]butan-2-yl]-3-propan-2-yl-1,2-oxazole-4-carboxamide
CID 171790847
tert-butyl N-[5-[(3-fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]carbamate
CID 66694551
4-cyclopropyl-N-[(1R,2R)-1-iodo-1-[(2-methylpropan-2-yl)oxy]-3-oxo-3-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]propan-2-yl]-1,2,5-oxadiazole-3-carboxamide
CID 171790617
4-methyl-N-[(2S)-1-oxo-1-[[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]amino]-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxypropan-2-yl]-1,2,5-oxadiazole-3-carboxamide
CID 171791002
(2S)-2-(benzylcarbamoylamino)-2-(4-methylcyclohexyl)-N-[4-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-2-pyridinyl]acetamide
CID 171790501
tert-butyl N-[4-[2-methoxy-1-[(5S)-2-oxo-5-(trifluoromethyl)pyrrolidin-3-yl]ethyl]-2-pyridinyl]carbamate
CID 171791040
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[4-[[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]methyl]phenyl]carbamate
CID 168675104

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]carbamate (CID 154642710) is tert-butyl N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]carbamate is CC(C)(C)OC(=O)Nc1cc(CN2C[C@@H](C(F)(F)F)NC2=O)cnn1.
What is the InChIKey of tert-butyl N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]carbamate?
The InChIKey is XYELTXHYFRUJGG-VIFPVBQESA-N. The full InChI is InChI=1S/C14H18F3N5O3/c1-13(2,3)25-12(24)20-10-4-8(5-18-21-10)6-22-7-9(14(15,16)17)19-11(22)23/h4-5,9H,6-7H2,1-3H3,(H,19,23)(H,20,21,24)/t9-/m0/s1.
What are the key properties of tert-butyl N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]carbamate?
tert-butyl N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]carbamate has a molecular weight of 361.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[[(4S)-2-oxo-4-(trifluoromethyl)imidazolidin-1-yl]methyl]pyridazin-3-yl]carbamate is sourced from PubChem (CID 154642710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).