6-[(2R)-2,3-dihydroxypropyl]-4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-1,6-naphthyridine-2,5-dione

C19H18FIN2O4 — CID 158499829

IUPAC6-[(2R)-2,3-dihydroxypropyl]-4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-1,6-naphthyridine-2,5-dione
SMILESCn1c(=O)cc(Cc2ccc(I)cc2F)c2c(=O)n(C[C@@H](O)CO)ccc21
InChIInChI=1S/C19H18FIN2O4/c1-22-16-4-5-23(9-14(25)10-24)19(27)18(16)12(7-17(22)26)6-11-2-3-13(21)8-15(11)20/h2-5,7-8,14,24-25H,6,9-10H2,1H3/t14-/m1/s1
InChIKeyMNDWJDPLOOSBCG-CQSZACIVSA-N
MW484.27 g/mol
LogP1.39
Rot. Bonds5

About 6-[(2R)-2,3-dihydroxypropyl]-4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-1,6-naphthyridine-2,5-dione

6-[(2R)-2,3-dihydroxypropyl]-4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-1,6-naphthyridine-2,5-dione (PubChem CID 158499829) has the molecular formula C19H18FIN2O4 and a molecular weight of 484.27 g/mol. Its IUPAC name is 6-[(2R)-2,3-dihydroxypropyl]-4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-1,6-naphthyridine-2,5-dione.

Molecular Properties

Compound Name6-[(2R)-2,3-dihydroxypropyl]-4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-1,6-naphthyridine-2,5-dione
PubChem CID158499829
Molecular FormulaC19H18FIN2O4
Molecular Weight484.27 g/mol
Exact Mass484.03
IUPAC Name6-[(2R)-2,3-dihydroxypropyl]-4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-1,6-naphthyridine-2,5-dione
SMILESCn1c(=O)cc(Cc2ccc(I)cc2F)c2c(=O)n(C[C@@H](O)CO)ccc21
InChIInChI=1S/C19H18FIN2O4/c1-22-16-4-5-23(9-14(25)10-24)19(27)18(16)12(7-17(22)26)6-11-2-3-13(21)8-15(11)20/h2-5,7-8,14,24-25H,6,9-10H2,1H3/t14-/m1/s1
InChIKeyMNDWJDPLOOSBCG-CQSZACIVSA-N
XLogP1.39
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-(2,3-dihydroxypropyl)-4-[(2-fluoro-4-iodophenyl)methyl]-3,7-dimethylpyrano[3,2-c]pyridine-2,5-dione
CID 157054852
5-(2-chloro-4-iodoanilino)-3-(2,3-dihydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CID 67065976
4-chloro-6-[(4S)-4,5-dihydroxypentanoyl]-5-[(2-fluoro-4-iodophenyl)methyl]-2-methylpyridazin-3-one
CID 58368302
3-[(2R)-2,3-dihydroxypropoxy]-5-(2-fluoro-4-iodoanilino)-1,6-dimethyl-1,6-naphthyridine-4,7-dione
CID 25072442
6-(2-aminoethoxy)-4-(2-fluoro-4-iodoanilino)-1-methyl-1,6-naphthyridine-2,5-dione
CID 143711373
6-chloro-5-(2-fluoro-4-iodoanilino)-3-(2-hydroxypropyl)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CID 24967881
5-acetyl-3-ethyl-6-[(2-fluoro-4-iodophenyl)methyl]-1-methylpyrimidine-2,4-dione
CID 58374888
2-[(2S)-2,3-dihydroxypropyl]-8-(2-fluoro-4-methylanilino)-2,6-naphthyridin-1-one
CID 163456255
N-[4-[[3-(2,3-dihydroxypropyl)-6-fluoro-8-methyl-4,7-dioxopyrido[2,3-d]pyrimidin-5-yl]amino]-3-fluorophenyl]methanesulfonamide
CID 67065922
(4S)-1-[3-[(2-fluoro-4-iodophenyl)methyl]-4-pyridinyl]-4,5-dihydroxypentan-1-one
CID 58431489
3-chloro-6-[(2-fluoro-4-iodophenyl)methyl]-5-[2-[(2S)-2-hydroxypropoxy]acetyl]-1-methylpyridin-2-one
CID 58368295
6-fluoro-5-(2-fluoro-4-iodoanilino)-3-[(2R)-3-hydroxy-2-methoxypropyl]-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
CID 144762838

Frequently Asked Questions

What is the IUPAC name of 6-[(2R)-2,3-dihydroxypropyl]-4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-1,6-naphthyridine-2,5-dione?
The IUPAC name of 6-[(2R)-2,3-dihydroxypropyl]-4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-1,6-naphthyridine-2,5-dione (CID 158499829) is 6-[(2R)-2,3-dihydroxypropyl]-4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-1,6-naphthyridine-2,5-dione.
What is the SMILES notation for 6-[(2R)-2,3-dihydroxypropyl]-4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-1,6-naphthyridine-2,5-dione?
The canonical SMILES for 6-[(2R)-2,3-dihydroxypropyl]-4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-1,6-naphthyridine-2,5-dione is Cn1c(=O)cc(Cc2ccc(I)cc2F)c2c(=O)n(C[C@@H](O)CO)ccc21.
What is the InChIKey of 6-[(2R)-2,3-dihydroxypropyl]-4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-1,6-naphthyridine-2,5-dione?
The InChIKey is MNDWJDPLOOSBCG-CQSZACIVSA-N. The full InChI is InChI=1S/C19H18FIN2O4/c1-22-16-4-5-23(9-14(25)10-24)19(27)18(16)12(7-17(22)26)6-11-2-3-13(21)8-15(11)20/h2-5,7-8,14,24-25H,6,9-10H2,1H3/t14-/m1/s1.
What are the key properties of 6-[(2R)-2,3-dihydroxypropyl]-4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-1,6-naphthyridine-2,5-dione?
6-[(2R)-2,3-dihydroxypropyl]-4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-1,6-naphthyridine-2,5-dione has a molecular weight of 484.27 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2,3-dihydroxypropyl]-4-[(2-fluoro-4-iodophenyl)methyl]-1-methyl-1,6-naphthyridine-2,5-dione is sourced from PubChem (CID 158499829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).