2-[3-[[(5R)-5-(3-chloro-2-fluorophenyl)-4-fluoro-7-(4-fluoro-1-methylpyrazol-3-yl)-5-methyl-8-oxo-6H-2,7-naphthyridin-3-yl]amino]azetidin-1-yl]acetamide

C24H23ClF3N7O2 — CID 171524269

IUPAC2-[3-[[(5R)-5-(3-chloro-2-fluorophenyl)-4-fluoro-7-(4-fluoro-1-methylpyrazol-3-yl)-5-methyl-8-oxo-6H-2,7-naphthyridin-3-yl]amino]azetidin-1-yl]acetamide
SMILESCn1cc(F)c(N2C[C@](C)(c3cccc(Cl)c3F)c3c(cnc(NC4CN(CC(N)=O)C4)c3F)C2=O)n1
InChIInChI=1S/C24H23ClF3N7O2/c1-24(14-4-3-5-15(25)19(14)27)11-35(22-16(26)9-33(2)32-22)23(37)13-6-30-21(20(28)18(13)24)31-12-7-34(8-12)10-17(29)36/h3-6,9,12H,7-8,10-11H2,1-2H3,(H2,29,36)(H,30,31)/t24-/m1/s1
InChIKeyHPXTYCALHOTBHD-XMMPIXPASA-N
MW533.94 g/mol
LogP2.43
Rot. Bonds6

About 2-[3-[[(5R)-5-(3-chloro-2-fluorophenyl)-4-fluoro-7-(4-fluoro-1-methylpyrazol-3-yl)-5-methyl-8-oxo-6H-2,7-naphthyridin-3-yl]amino]azetidin-1-yl]acetamide

2-[3-[[(5R)-5-(3-chloro-2-fluorophenyl)-4-fluoro-7-(4-fluoro-1-methylpyrazol-3-yl)-5-methyl-8-oxo-6H-2,7-naphthyridin-3-yl]amino]azetidin-1-yl]acetamide (PubChem CID 171524269) has the molecular formula C24H23ClF3N7O2 and a molecular weight of 533.94 g/mol. Its IUPAC name is 2-[3-[[(5R)-5-(3-chloro-2-fluorophenyl)-4-fluoro-7-(4-fluoro-1-methylpyrazol-3-yl)-5-methyl-8-oxo-6H-2,7-naphthyridin-3-yl]amino]azetidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-[[(5R)-5-(3-chloro-2-fluorophenyl)-4-fluoro-7-(4-fluoro-1-methylpyrazol-3-yl)-5-methyl-8-oxo-6H-2,7-naphthyridin-3-yl]amino]azetidin-1-yl]acetamide
PubChem CID171524269
Molecular FormulaC24H23ClF3N7O2
Molecular Weight533.94 g/mol
Exact Mass533.16
IUPAC Name2-[3-[[(5R)-5-(3-chloro-2-fluorophenyl)-4-fluoro-7-(4-fluoro-1-methylpyrazol-3-yl)-5-methyl-8-oxo-6H-2,7-naphthyridin-3-yl]amino]azetidin-1-yl]acetamide
SMILESCn1cc(F)c(N2C[C@](C)(c3cccc(Cl)c3F)c3c(cnc(NC4CN(CC(N)=O)C4)c3F)C2=O)n1
InChIInChI=1S/C24H23ClF3N7O2/c1-24(14-4-3-5-15(25)19(14)27)11-35(22-16(26)9-33(2)32-22)23(37)13-6-30-21(20(28)18(13)24)31-12-7-34(8-12)10-17(29)36/h3-6,9,12H,7-8,10-11H2,1-2H3,(H2,29,36)(H,30,31)/t24-/m1/s1
InChIKeyHPXTYCALHOTBHD-XMMPIXPASA-N
XLogP2.43
TPSA109.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.94
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(5R)-5-(3-chloro-2-fluorophenyl)-4-fluoro-7-(4-fluoro-1-methylpyrazol-3-yl)-5-methyl-8-oxo-6H-2,7-naphthyridin-3-yl]amino]azetidin-1-yl]acetamide?
The IUPAC name of 2-[3-[[(5R)-5-(3-chloro-2-fluorophenyl)-4-fluoro-7-(4-fluoro-1-methylpyrazol-3-yl)-5-methyl-8-oxo-6H-2,7-naphthyridin-3-yl]amino]azetidin-1-yl]acetamide (CID 171524269) is 2-[3-[[(5R)-5-(3-chloro-2-fluorophenyl)-4-fluoro-7-(4-fluoro-1-methylpyrazol-3-yl)-5-methyl-8-oxo-6H-2,7-naphthyridin-3-yl]amino]azetidin-1-yl]acetamide.
What is the SMILES notation for 2-[3-[[(5R)-5-(3-chloro-2-fluorophenyl)-4-fluoro-7-(4-fluoro-1-methylpyrazol-3-yl)-5-methyl-8-oxo-6H-2,7-naphthyridin-3-yl]amino]azetidin-1-yl]acetamide?
The canonical SMILES for 2-[3-[[(5R)-5-(3-chloro-2-fluorophenyl)-4-fluoro-7-(4-fluoro-1-methylpyrazol-3-yl)-5-methyl-8-oxo-6H-2,7-naphthyridin-3-yl]amino]azetidin-1-yl]acetamide is Cn1cc(F)c(N2C[C@](C)(c3cccc(Cl)c3F)c3c(cnc(NC4CN(CC(N)=O)C4)c3F)C2=O)n1.
What is the InChIKey of 2-[3-[[(5R)-5-(3-chloro-2-fluorophenyl)-4-fluoro-7-(4-fluoro-1-methylpyrazol-3-yl)-5-methyl-8-oxo-6H-2,7-naphthyridin-3-yl]amino]azetidin-1-yl]acetamide?
The InChIKey is HPXTYCALHOTBHD-XMMPIXPASA-N. The full InChI is InChI=1S/C24H23ClF3N7O2/c1-24(14-4-3-5-15(25)19(14)27)11-35(22-16(26)9-33(2)32-22)23(37)13-6-30-21(20(28)18(13)24)31-12-7-34(8-12)10-17(29)36/h3-6,9,12H,7-8,10-11H2,1-2H3,(H2,29,36)(H,30,31)/t24-/m1/s1.
What are the key properties of 2-[3-[[(5R)-5-(3-chloro-2-fluorophenyl)-4-fluoro-7-(4-fluoro-1-methylpyrazol-3-yl)-5-methyl-8-oxo-6H-2,7-naphthyridin-3-yl]amino]azetidin-1-yl]acetamide?
2-[3-[[(5R)-5-(3-chloro-2-fluorophenyl)-4-fluoro-7-(4-fluoro-1-methylpyrazol-3-yl)-5-methyl-8-oxo-6H-2,7-naphthyridin-3-yl]amino]azetidin-1-yl]acetamide has a molecular weight of 533.94 g/mol, XLogP of 2.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(5R)-5-(3-chloro-2-fluorophenyl)-4-fluoro-7-(4-fluoro-1-methylpyrazol-3-yl)-5-methyl-8-oxo-6H-2,7-naphthyridin-3-yl]amino]azetidin-1-yl]acetamide is sourced from PubChem (CID 171524269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).