(5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one

C23H25FN6O4 — CID 159018748

IUPAC(5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
SMILESCC(=O)CC[C@H]1CN(c2ccc(-c3ccc(N4C=NN(C(=O)CN)CC4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H25FN6O4/c1-15(31)2-5-18-13-29(23(33)34-18)17-4-6-19(20(24)10-17)16-3-7-21(26-12-16)28-8-9-30(27-14-28)22(32)11-25/h3-4,6-7,10,12,14,18H,2,5,8-9,11,13,25H2,1H3/t18-/m0/s1
InChIKeyRBVBAECSARETFS-SFHVURJKSA-N
MW468.49 g/mol
LogP2.13
Rot. Bonds7

About (5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one

(5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one (PubChem CID 159018748) has the molecular formula C23H25FN6O4 and a molecular weight of 468.49 g/mol. Its IUPAC name is (5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
PubChem CID159018748
Molecular FormulaC23H25FN6O4
Molecular Weight468.49 g/mol
Exact Mass468.19
IUPAC Name(5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
SMILESCC(=O)CC[C@H]1CN(c2ccc(-c3ccc(N4C=NN(C(=O)CN)CC4)nc3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H25FN6O4/c1-15(31)2-5-18-13-29(23(33)34-18)17-4-6-19(20(24)10-17)16-3-7-21(26-12-16)28-8-9-30(27-14-28)22(32)11-25/h3-4,6-7,10,12,14,18H,2,5,8-9,11,13,25H2,1H3/t18-/m0/s1
InChIKeyRBVBAECSARETFS-SFHVURJKSA-N
XLogP2.13
TPSA121.43 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.49
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one
CID 162146765
methyl 3-[(5S)-3-[4-[6-(1-carbamoyl-5,6-dihydro-1,2,4-triazin-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate;methyl 3-[(5S)-3-[4-[6-(5,6-dihydro-1H-1,2,4-triazin-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]propanoate;hydrochloride
CID 159148045
N-[[(5S)-3-[4-[6-(5,6-dihydro-1,2,4-oxadiazin-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 66555973
(5S)-3-[3-fluoro-4-[4-[4-(hydroxymethyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 159185059
3-(3-fluoro-4-propan-2-ylphenyl)-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 58277102
N-[[(5S)-3-[4-[6-(4-acetamidopiperidin-1-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67551168
(5S)-3-[4-(4,4-dimethyl-1,4-azasilinan-1-yl)-3-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one
CID 158399329
[(5R)-3-[4-[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl (2R)-2-aminopropanoate
CID 71030717
[1-[5-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-4-hydroxypiperidin-4-yl]methyl acetate
CID 68943816
5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one
CID 129071143
(5S)-5-(aminomethyl)-3-[3-fluoro-4-(2-methylsulfanylpyrimidin-5-yl)phenyl]-1,3-oxazolidin-2-one
CID 129071122
(2S)-2-[3-[3-fluoro-4-[6-[4-(2-hydroxyacetyl)piperazin-1-yl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]propanamide
CID 174461310

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one (CID 159018748) is (5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one is CC(=O)CC[C@H]1CN(c2ccc(-c3ccc(N4C=NN(C(=O)CN)CC4)nc3)c(F)c2)C(=O)O1.
What is the InChIKey of (5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one?
The InChIKey is RBVBAECSARETFS-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25FN6O4/c1-15(31)2-5-18-13-29(23(33)34-18)17-4-6-19(20(24)10-17)16-3-7-21(26-12-16)28-8-9-30(27-14-28)22(32)11-25/h3-4,6-7,10,12,14,18H,2,5,8-9,11,13,25H2,1H3/t18-/m0/s1.
What are the key properties of (5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one?
(5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one has a molecular weight of 468.49 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 159018748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).