3-[2-[1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethylamino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one

C20H23ClF3N5O2 — CID 123966257

IUPAC3-[2-[1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethylamino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one
SMILESCC(Nc1ncc(F)c(N2C(=O)OC(C)(C)C2(C)C)n1)c1cnc(C(C)(F)F)c(Cl)c1
InChIInChI=1S/C20H23ClF3N5O2/c1-10(11-7-12(21)14(25-8-11)20(6,23)24)27-16-26-9-13(22)15(28-16)29-17(30)31-19(4,5)18(29,2)3/h7-10H,1-6H3,(H,26,27,28)
InChIKeyOTCIAAUPNZXLFG-UHFFFAOYSA-N
MW457.88 g/mol
LogP5.46
Rot. Bonds5

About 3-[2-[1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethylamino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one

3-[2-[1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethylamino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one (PubChem CID 123966257) has the molecular formula C20H23ClF3N5O2 and a molecular weight of 457.88 g/mol. Its IUPAC name is 3-[2-[1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethylamino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethylamino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one
PubChem CID123966257
Molecular FormulaC20H23ClF3N5O2
Molecular Weight457.88 g/mol
Exact Mass457.15
IUPAC Name3-[2-[1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethylamino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one
SMILESCC(Nc1ncc(F)c(N2C(=O)OC(C)(C)C2(C)C)n1)c1cnc(C(C)(F)F)c(Cl)c1
InChIInChI=1S/C20H23ClF3N5O2/c1-10(11-7-12(21)14(25-8-11)20(6,23)24)27-16-26-9-13(22)15(28-16)29-17(30)31-19(4,5)18(29,2)3/h7-10H,1-6H3,(H,26,27,28)
InChIKeyOTCIAAUPNZXLFG-UHFFFAOYSA-N
XLogP5.46
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.88
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-[1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethylamino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

Tert-butyl 4-(5'-chloro-6-(3-fluorobenzylamino)-2,4'-bipyridin-2'-yl-amino)piperidine-1-carboxylate
CID 66936988
(4S)-4-methyl-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 145956839
(4S)-4-ethyl-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 145961862
(4R)-4-(fluoromethyl)-3-[2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]-2-pyridinyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 145963523
8-[5-Chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 67508753
3-[5-Fluoro-2-[1-[5-(4-fluoro-3-methylphenyl)-2-pyridinyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 71541905
(4S)-3-[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-5-fluoropyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 90349548
(4R)-4-[(1S)-1-fluoroethyl]-3-[5-fluoro-2-[[(1S)-1-[4-methyl-5-[2-(trifluoromethyl)pyridin-4-yl]pyridin-2-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90416554
US9434719, 273 as TFA salt
CID 90452025
US9434719, 284 as TFA salt
CID 90452033
(4R)-3-[2-[[(1S)-1-(3,5-dichloro-2-pyridinyl)ethyl]amino]-5-fluoropyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90452045
US9434719, 441 as TFA salt
CID 90452095

Frequently Asked Questions

What is the IUPAC name of 3-[2-[1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethylamino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethylamino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one (CID 123966257) is 3-[2-[1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethylamino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethylamino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethylamino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one is CC(Nc1ncc(F)c(N2C(=O)OC(C)(C)C2(C)C)n1)c1cnc(C(C)(F)F)c(Cl)c1.
What is the InChIKey of 3-[2-[1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethylamino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one?
The InChIKey is OTCIAAUPNZXLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClF3N5O2/c1-10(11-7-12(21)14(25-8-11)20(6,23)24)27-16-26-9-13(22)15(28-16)29-17(30)31-19(4,5)18(29,2)3/h7-10H,1-6H3,(H,26,27,28).
What are the key properties of 3-[2-[1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethylamino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one?
3-[2-[1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethylamino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one has a molecular weight of 457.88 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[1-[5-chloro-6-(1,1-difluoroethyl)-3-pyridinyl]ethylamino]-5-fluoropyrimidin-4-yl]-4,4,5,5-tetramethyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 123966257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).