N-[6-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-2-pyridinyl]-5-methoxypyrazine-2-carboxamide

C19H21FN6O3S — CID 142391383

IUPACN-[6-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-2-pyridinyl]-5-methoxypyrazine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2cccc([C@]34CO[C@@H](C)C[C@@]3(F)CSC(N)=N4)n2)cn1
InChIInChI=1S/C19H21FN6O3S/c1-11-6-18(20)10-30-17(21)26-19(18,9-29-11)13-4-3-5-14(24-13)25-16(27)12-7-23-15(28-2)8-22-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,21,26)(H,24,25,27)/t11-,18+,19+/m0/s1
InChIKeyRABOSSIVMUCYMO-ZKWAXGPOSA-N
MW432.48 g/mol
LogP1.91
Rot. Bonds4

About N-[6-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-2-pyridinyl]-5-methoxypyrazine-2-carboxamide

N-[6-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-2-pyridinyl]-5-methoxypyrazine-2-carboxamide (PubChem CID 142391383) has the molecular formula C19H21FN6O3S and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[6-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-2-pyridinyl]-5-methoxypyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[6-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-2-pyridinyl]-5-methoxypyrazine-2-carboxamide
PubChem CID142391383
Molecular FormulaC19H21FN6O3S
Molecular Weight432.48 g/mol
Exact Mass432.14
IUPAC NameN-[6-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-2-pyridinyl]-5-methoxypyrazine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2cccc([C@]34CO[C@@H](C)C[C@@]3(F)CSC(N)=N4)n2)cn1
InChIInChI=1S/C19H21FN6O3S/c1-11-6-18(20)10-30-17(21)26-19(18,9-29-11)13-4-3-5-14(24-13)25-16(27)12-7-23-15(28-2)8-22-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,21,26)(H,24,25,27)/t11-,18+,19+/m0/s1
InChIKeyRABOSSIVMUCYMO-ZKWAXGPOSA-N
XLogP1.91
TPSA124.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[6-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-2-pyridinyl]-5-methoxypyrazine-2-carboxamide with MolForge

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Related Compounds

N-[2-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-4-pyridinyl]-5-methoxypyrazine-2-carboxamide;N-[6-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-2-pyridinyl]-5-methoxypyrazine-2-carboxamide;N-[5-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]thiophen-2-yl]-5-methoxypyrazine-2-carboxamide;N-[5-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]thiophen-3-yl]-5-methoxypyrazine-2-carboxamide
CID 159192881
N-[3-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]phenyl]-5-(difluoromethyl)pyridine-2-carboxamide
CID 146222987
N-[3-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
CID 162608456
N-[3-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-4-fluorophenyl]-5-(1-fluoroethyl)pyrazine-2-carboxamide
CID 153447622
N-[3-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-5-fluorophenyl]-5-methylpyrazine-2-carboxamide;N-[3-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]phenyl]-3-fluoro-5-methylpyridine-2-carboxamide;tris(N-[3-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]phenyl]-5-methylpyridine-2-carboxamide)
CID 160627874
N-[3-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]phenyl]-3,5-difluoropyridine-2-carboxamide
CID 142391465
N-[3-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-4-fluorophenyl]-5-(1-fluoroethyl)pyridine-2-carboxamide
CID 159461301
N-[3-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-4-fluorophenyl]-6-bromo-5-fluoropyridine-2-carboxamide
CID 146223023
N-[2-[(4aR,6S,8aR)-2-amino-4a,6-dimethyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-1,3-thiazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 158382016
tert-butyl N-[(4aS,6S,8aS)-8a-[5-[[5-(difluoromethyl)pyrazine-2-carbonyl]amino]-2-fluorophenyl]-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-2-yl]carbamate
CID 142391370
N-[2-(2-amino-6-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-1,3-thiazol-4-yl]-5-(2,2-difluoroethoxy)pyrazine-2-carboxamide
CID 123916988
5-[3-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]phenyl]pyridine-3-carbonitrile
CID 146222893

Frequently Asked Questions

What is the IUPAC name of N-[6-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-2-pyridinyl]-5-methoxypyrazine-2-carboxamide?
The IUPAC name of N-[6-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-2-pyridinyl]-5-methoxypyrazine-2-carboxamide (CID 142391383) is N-[6-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-2-pyridinyl]-5-methoxypyrazine-2-carboxamide.
What is the SMILES notation for N-[6-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-2-pyridinyl]-5-methoxypyrazine-2-carboxamide?
The canonical SMILES for N-[6-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-2-pyridinyl]-5-methoxypyrazine-2-carboxamide is COc1cnc(C(=O)Nc2cccc([C@]34CO[C@@H](C)C[C@@]3(F)CSC(N)=N4)n2)cn1.
What is the InChIKey of N-[6-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-2-pyridinyl]-5-methoxypyrazine-2-carboxamide?
The InChIKey is RABOSSIVMUCYMO-ZKWAXGPOSA-N. The full InChI is InChI=1S/C19H21FN6O3S/c1-11-6-18(20)10-30-17(21)26-19(18,9-29-11)13-4-3-5-14(24-13)25-16(27)12-7-23-15(28-2)8-22-12/h3-5,7-8,11H,6,9-10H2,1-2H3,(H2,21,26)(H,24,25,27)/t11-,18+,19+/m0/s1.
What are the key properties of N-[6-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-2-pyridinyl]-5-methoxypyrazine-2-carboxamide?
N-[6-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-2-pyridinyl]-5-methoxypyrazine-2-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(4aS,6S,8aS)-2-amino-4a-fluoro-6-methyl-4,5,6,8-tetrahydropyrano[3,4-d][1,3]thiazin-8a-yl]-2-pyridinyl]-5-methoxypyrazine-2-carboxamide is sourced from PubChem (CID 142391383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).