(4R)-4-(3-chloro-2-fluorophenyl)-5-fluoro-6-[[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]amino]-4-methyl-2,3-dihydro-2,7-naphthyridin-1-one

C22H20ClF3N4O2 — CID 171524579

IUPAC(4R)-4-(3-chloro-2-fluorophenyl)-5-fluoro-6-[[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]amino]-4-methyl-2,3-dihydro-2,7-naphthyridin-1-one
SMILESC[C@]1(c2cccc(Cl)c2F)CNC(=O)c2cnc(NC3CN(C(=O)[C@@H]4C[C@@H]4F)C3)c(F)c21
InChIInChI=1S/C22H20ClF3N4O2/c1-22(13-3-2-4-14(23)17(13)25)9-28-20(31)12-6-27-19(18(26)16(12)22)29-10-7-30(8-10)21(32)11-5-15(11)24/h2-4,6,10-11,15H,5,7-9H2,1H3,(H,27,29)(H,28,31)/t11-,15+,22-/m1/s1
InChIKeyLGXCJDFYRTYGPF-MGMHVRNCSA-N
MW464.88 g/mol
LogP3.04
Rot. Bonds4

About (4R)-4-(3-chloro-2-fluorophenyl)-5-fluoro-6-[[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]amino]-4-methyl-2,3-dihydro-2,7-naphthyridin-1-one

(4R)-4-(3-chloro-2-fluorophenyl)-5-fluoro-6-[[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]amino]-4-methyl-2,3-dihydro-2,7-naphthyridin-1-one (PubChem CID 171524579) has the molecular formula C22H20ClF3N4O2 and a molecular weight of 464.88 g/mol. Its IUPAC name is (4R)-4-(3-chloro-2-fluorophenyl)-5-fluoro-6-[[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]amino]-4-methyl-2,3-dihydro-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name(4R)-4-(3-chloro-2-fluorophenyl)-5-fluoro-6-[[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]amino]-4-methyl-2,3-dihydro-2,7-naphthyridin-1-one
PubChem CID171524579
Molecular FormulaC22H20ClF3N4O2
Molecular Weight464.88 g/mol
Exact Mass464.12
IUPAC Name(4R)-4-(3-chloro-2-fluorophenyl)-5-fluoro-6-[[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]amino]-4-methyl-2,3-dihydro-2,7-naphthyridin-1-one
SMILESC[C@]1(c2cccc(Cl)c2F)CNC(=O)c2cnc(NC3CN(C(=O)[C@@H]4C[C@@H]4F)C3)c(F)c21
InChIInChI=1S/C22H20ClF3N4O2/c1-22(13-3-2-4-14(23)17(13)25)9-28-20(31)12-6-27-19(18(26)16(12)22)29-10-7-30(8-10)21(32)11-5-15(11)24/h2-4,6,10-11,15H,5,7-9H2,1H3,(H,27,29)(H,28,31)/t11-,15+,22-/m1/s1
InChIKeyLGXCJDFYRTYGPF-MGMHVRNCSA-N
XLogP3.04
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.88
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-4-(3-chloro-2-fluorophenyl)-5-fluoro-6-[[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]amino]-4-methyl-2,3-dihydro-2,7-naphthyridin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-chloro-2-fluorophenyl)-5-fluoro-6-[[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]amino]-4-methyl-2,3-dihydro-2,7-naphthyridin-1-one?
The IUPAC name of (4R)-4-(3-chloro-2-fluorophenyl)-5-fluoro-6-[[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]amino]-4-methyl-2,3-dihydro-2,7-naphthyridin-1-one (CID 171524579) is (4R)-4-(3-chloro-2-fluorophenyl)-5-fluoro-6-[[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]amino]-4-methyl-2,3-dihydro-2,7-naphthyridin-1-one.
What is the SMILES notation for (4R)-4-(3-chloro-2-fluorophenyl)-5-fluoro-6-[[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]amino]-4-methyl-2,3-dihydro-2,7-naphthyridin-1-one?
The canonical SMILES for (4R)-4-(3-chloro-2-fluorophenyl)-5-fluoro-6-[[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]amino]-4-methyl-2,3-dihydro-2,7-naphthyridin-1-one is C[C@]1(c2cccc(Cl)c2F)CNC(=O)c2cnc(NC3CN(C(=O)[C@@H]4C[C@@H]4F)C3)c(F)c21.
What is the InChIKey of (4R)-4-(3-chloro-2-fluorophenyl)-5-fluoro-6-[[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]amino]-4-methyl-2,3-dihydro-2,7-naphthyridin-1-one?
The InChIKey is LGXCJDFYRTYGPF-MGMHVRNCSA-N. The full InChI is InChI=1S/C22H20ClF3N4O2/c1-22(13-3-2-4-14(23)17(13)25)9-28-20(31)12-6-27-19(18(26)16(12)22)29-10-7-30(8-10)21(32)11-5-15(11)24/h2-4,6,10-11,15H,5,7-9H2,1H3,(H,27,29)(H,28,31)/t11-,15+,22-/m1/s1.
What are the key properties of (4R)-4-(3-chloro-2-fluorophenyl)-5-fluoro-6-[[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]amino]-4-methyl-2,3-dihydro-2,7-naphthyridin-1-one?
(4R)-4-(3-chloro-2-fluorophenyl)-5-fluoro-6-[[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]amino]-4-methyl-2,3-dihydro-2,7-naphthyridin-1-one has a molecular weight of 464.88 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-chloro-2-fluorophenyl)-5-fluoro-6-[[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]amino]-4-methyl-2,3-dihydro-2,7-naphthyridin-1-one is sourced from PubChem (CID 171524579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).