(4S)-3-[4-[1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one

C17H19ClN8O2 — CID 154960723

IUPAC(4S)-3-[4-[1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
SMILESCC[C@H]1COC(=O)N1c1nc(C)nc(NC(C)c2cnc3ccc(Cl)nn23)n1
InChIInChI=1S/C17H19ClN8O2/c1-4-11-8-28-17(27)25(11)16-22-10(3)21-15(23-16)20-9(2)12-7-19-14-6-5-13(18)24-26(12)14/h5-7,9,11H,4,8H2,1-3H3,(H,20,21,22,23)/t9?,11-/m0/s1
InChIKeyZAOIOEVKHZKCQJ-UMJHXOGRSA-N
MW402.85 g/mol
LogP2.78
Rot. Bonds5

About (4S)-3-[4-[1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one

(4S)-3-[4-[1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one (PubChem CID 154960723) has the molecular formula C17H19ClN8O2 and a molecular weight of 402.85 g/mol. Its IUPAC name is (4S)-3-[4-[1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[4-[1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
PubChem CID154960723
Molecular FormulaC17H19ClN8O2
Molecular Weight402.85 g/mol
Exact Mass402.13
IUPAC Name(4S)-3-[4-[1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
SMILESCC[C@H]1COC(=O)N1c1nc(C)nc(NC(C)c2cnc3ccc(Cl)nn23)n1
InChIInChI=1S/C17H19ClN8O2/c1-4-11-8-28-17(27)25(11)16-22-10(3)21-15(23-16)20-9(2)12-7-19-14-6-5-13(18)24-26(12)14/h5-7,9,11H,4,8H2,1-3H3,(H,20,21,22,23)/t9?,11-/m0/s1
InChIKeyZAOIOEVKHZKCQJ-UMJHXOGRSA-N
XLogP2.78
TPSA110.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.85
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

(4S)-3-[4-[1-[1-(4-chlorophenyl)imidazol-4-yl]ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 154960817
(4S)-4-ethyl-3-[4-methyl-6-[[(1R)-1-(4-phenylmethoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 151869553
(4S)-4-ethyl-3-[4-methyl-6-[[(1S)-1-(1-pyridin-4-ylimidazol-4-yl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154591596
4-[(1R)-1-[[4-(4-ethyl-2-oxo-1,3-oxazolidin-3-yl)-6-methyl-1,3,5-triazin-2-yl]amino]ethyl]-N-phenylbenzamide
CID 154960596
(4S)-4-ethyl-3-[4-methyl-6-[1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154960652
(4S)-4-ethyl-3-[4-methyl-6-[1-(3-phenyl-1H-indol-6-yl)ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154960791
(4S)-3-[4-[[(1S)-1-(6-chloro-8-fluoro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 153222214
(4S)-4-ethyl-3-[4-methyl-6-[1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154960836
(4S)-3-[4-[1-(6-chloro-7-methoxy-2-oxo-1H-quinolin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 154960658
4-ethyl-3-[4-[[(1S)-1-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 154960656
(4S)-4-ethyl-3-[4-[[(1S)-1-(6-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
CID 150537306
(4S)-3-[4-[[(1S)-1-[1-[[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]methyl]imidazol-4-yl]ethyl]amino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one
CID 154591563

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[4-[1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[4-[1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one (CID 154960723) is (4S)-3-[4-[1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[4-[1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[4-[1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one is CC[C@H]1COC(=O)N1c1nc(C)nc(NC(C)c2cnc3ccc(Cl)nn23)n1.
What is the InChIKey of (4S)-3-[4-[1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one?
The InChIKey is ZAOIOEVKHZKCQJ-UMJHXOGRSA-N. The full InChI is InChI=1S/C17H19ClN8O2/c1-4-11-8-28-17(27)25(11)16-22-10(3)21-15(23-16)20-9(2)12-7-19-14-6-5-13(18)24-26(12)14/h5-7,9,11H,4,8H2,1-3H3,(H,20,21,22,23)/t9?,11-/m0/s1.
What are the key properties of (4S)-3-[4-[1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one?
(4S)-3-[4-[1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one has a molecular weight of 402.85 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[4-[1-(6-chloroimidazo[1,2-b]pyridazin-3-yl)ethylamino]-6-methyl-1,3,5-triazin-2-yl]-4-ethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 154960723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).