N-[3-[(4aS,7aS)-3-amino-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide

C19H19F2N5O5S — CID 71468129

IUPACN-[3-[(4aS,7aS)-3-amino-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2ccc(F)c([C@]34COC[C@H]3S(=O)(=O)N(C)C(N)=N4)c2)c(F)c1
InChIInChI=1S/C19H19F2N5O5S/c1-26-18(22)25-19(9-31-8-15(19)32(26,28)29)12-5-10(3-4-13(12)20)24-17(27)16-14(21)6-11(30-2)7-23-16/h3-7,15H,8-9H2,1-2H3,(H2,22,25)(H,24,27)/t15-,19-/m1/s1
InChIKeyLEHXYLCBOVXRTG-DNVCBOLYSA-N
MW467.45 g/mol
LogP0.80
Rot. Bonds4

About N-[3-[(4aS,7aS)-3-amino-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide

N-[3-[(4aS,7aS)-3-amino-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide (PubChem CID 71468129) has the molecular formula C19H19F2N5O5S and a molecular weight of 467.45 g/mol. Its IUPAC name is N-[3-[(4aS,7aS)-3-amino-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4aS,7aS)-3-amino-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide
PubChem CID71468129
Molecular FormulaC19H19F2N5O5S
Molecular Weight467.45 g/mol
Exact Mass467.11
IUPAC NameN-[3-[(4aS,7aS)-3-amino-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2ccc(F)c([C@]34COC[C@H]3S(=O)(=O)N(C)C(N)=N4)c2)c(F)c1
InChIInChI=1S/C19H19F2N5O5S/c1-26-18(22)25-19(9-31-8-15(19)32(26,28)29)12-5-10(3-4-13(12)20)24-17(27)16-14(21)6-11(30-2)7-23-16/h3-7,15H,8-9H2,1-2H3,(H2,22,25)(H,24,27)/t15-,19-/m1/s1
InChIKeyLEHXYLCBOVXRTG-DNVCBOLYSA-N
XLogP0.80
TPSA136.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.45
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-[(4aS,7aS)-3-amino-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide with MolForge

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Related Compounds

N-{3-[(2S,5R)-6-amino-5-(ethanesulfonyl)-2-(fluoromethyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-2,2-difluoro-2H-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide
CID 156612914
US9605007, Comparator 3
CID 118441559
N-[3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl]-5-prop-2-ynoxypyridine-2-carboxamide
CID 118885049
US10238743, Example 5
CID 121264059
US10238743, Example 16
CID 121264098
5-Ethoxy-Pyridine-2-Carboxylic Acid [3-((R)-2-Amino-5,5-Difluoro-4-Methyl-5,6-Dihydro-4h-[1,3]oxazin-4-Yl)-4-Fluoro-Phenyl]-Amide
CID 71305034
N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyridine-2-carboxamide
CID 155517833
N-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyridine-2-carboxamide
CID 155537873
CID 53240812
CID 53240812
CID 53241933
CID 53241933
N-(3-((4aR,7aR)-2-amino-4a,5,6,7a-tetrahydro-4H-furo[2,3-d][1,3]thiazin-7a-yl)-4-fluorophenyl)-5-(difluoromethoxy)picolinamide
CID 86762164
N-[3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide
CID 89870630

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4aS,7aS)-3-amino-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide?
The IUPAC name of N-[3-[(4aS,7aS)-3-amino-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide (CID 71468129) is N-[3-[(4aS,7aS)-3-amino-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(4aS,7aS)-3-amino-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[3-[(4aS,7aS)-3-amino-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide is COc1cnc(C(=O)Nc2ccc(F)c([C@]34COC[C@H]3S(=O)(=O)N(C)C(N)=N4)c2)c(F)c1.
What is the InChIKey of N-[3-[(4aS,7aS)-3-amino-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide?
The InChIKey is LEHXYLCBOVXRTG-DNVCBOLYSA-N. The full InChI is InChI=1S/C19H19F2N5O5S/c1-26-18(22)25-19(9-31-8-15(19)32(26,28)29)12-5-10(3-4-13(12)20)24-17(27)16-14(21)6-11(30-2)7-23-16/h3-7,15H,8-9H2,1-2H3,(H2,22,25)(H,24,27)/t15-,19-/m1/s1.
What are the key properties of N-[3-[(4aS,7aS)-3-amino-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide?
N-[3-[(4aS,7aS)-3-amino-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide has a molecular weight of 467.45 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4aS,7aS)-3-amino-2-methyl-1,1-dioxo-7,7a-dihydro-5H-furo[3,4-e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide is sourced from PubChem (CID 71468129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).