N-[[(5S)-3-[3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C23H23FN6O3S — CID 10277618

IUPACN-[[(5S)-3-[3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCc4nc(-c5csc(C)n5)ncc4C3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H23FN6O3S/c1-13(31)25-9-17-11-30(23(32)33-17)16-3-4-21(18(24)7-16)29-6-5-19-15(10-29)8-26-22(28-19)20-12-34-14(2)27-20/h3-4,7-8,12,17H,5-6,9-11H2,1-2H3,(H,25,31)/t17-/m0/s1
InChIKeyVINFGJSFPPWUPQ-KRWDZBQOSA-N
MW482.54 g/mol
LogP3.07
Rot. Bonds5

About N-[[(5S)-3-[3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10277618) has the molecular formula C23H23FN6O3S and a molecular weight of 482.54 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID10277618
Molecular FormulaC23H23FN6O3S
Molecular Weight482.54 g/mol
Exact Mass482.15
IUPAC NameN-[[(5S)-3-[3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(N3CCc4nc(-c5csc(C)n5)ncc4C3)c(F)c2)C(=O)O1
InChIInChI=1S/C23H23FN6O3S/c1-13(31)25-9-17-11-30(23(32)33-17)16-3-4-21(18(24)7-16)29-6-5-19-15(10-29)8-26-22(28-19)20-12-34-14(2)27-20/h3-4,7-8,12,17H,5-6,9-11H2,1-2H3,(H,25,31)/t17-/m0/s1
InChIKeyVINFGJSFPPWUPQ-KRWDZBQOSA-N
XLogP3.07
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10277618) is N-[[(5S)-3-[3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(N3CCc4nc(-c5csc(C)n5)ncc4C3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is VINFGJSFPPWUPQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H23FN6O3S/c1-13(31)25-9-17-11-30(23(32)33-17)16-3-4-21(18(24)7-16)29-6-5-19-15(10-29)8-26-22(28-19)20-12-34-14(2)27-20/h3-4,7-8,12,17H,5-6,9-11H2,1-2H3,(H,25,31)/t17-/m0/s1.
What are the key properties of N-[[(5S)-3-[3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 482.54 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[3-fluoro-4-[2-(2-methyl-1,3-thiazol-4-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10277618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).