N-[(5R)-3-amino-2'-fluoro-2-methyl-1,1-dioxospiro[6H-1,2,4-thiadiazine-5,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-fluoro-5-methoxypyridine-2-carboxamide

C18H17F2N5O4S — CID 129287228

IUPACN-[(5R)-3-amino-2'-fluoro-2-methyl-1,1-dioxospiro[6H-1,2,4-thiadiazine-5,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-fluoro-5-methoxypyridine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2ccc3c(c2F)[C@]2(C3)CS(=O)(=O)N(C)C(N)=N2)c(F)c1
InChIInChI=1S/C18H17F2N5O4S/c1-25-17(21)24-18(8-30(25,27)28)6-9-3-4-12(14(20)13(9)18)23-16(26)15-11(19)5-10(29-2)7-22-15/h3-5,7H,6,8H2,1-2H3,(H2,21,24)(H,23,26)/t18-/m0/s1
InChIKeyUPKYVEHFSLLHET-SFHVURJKSA-N
MW437.43 g/mol
LogP0.96
Rot. Bonds3

About N-[(5R)-3-amino-2'-fluoro-2-methyl-1,1-dioxospiro[6H-1,2,4-thiadiazine-5,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-fluoro-5-methoxypyridine-2-carboxamide

N-[(5R)-3-amino-2'-fluoro-2-methyl-1,1-dioxospiro[6H-1,2,4-thiadiazine-5,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-fluoro-5-methoxypyridine-2-carboxamide (PubChem CID 129287228) has the molecular formula C18H17F2N5O4S and a molecular weight of 437.43 g/mol. Its IUPAC name is N-[(5R)-3-amino-2'-fluoro-2-methyl-1,1-dioxospiro[6H-1,2,4-thiadiazine-5,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-fluoro-5-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(5R)-3-amino-2'-fluoro-2-methyl-1,1-dioxospiro[6H-1,2,4-thiadiazine-5,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-fluoro-5-methoxypyridine-2-carboxamide
PubChem CID129287228
Molecular FormulaC18H17F2N5O4S
Molecular Weight437.43 g/mol
Exact Mass437.10
IUPAC NameN-[(5R)-3-amino-2'-fluoro-2-methyl-1,1-dioxospiro[6H-1,2,4-thiadiazine-5,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-fluoro-5-methoxypyridine-2-carboxamide
SMILESCOc1cnc(C(=O)Nc2ccc3c(c2F)[C@]2(C3)CS(=O)(=O)N(C)C(N)=N2)c(F)c1
InChIInChI=1S/C18H17F2N5O4S/c1-25-17(21)24-18(8-30(25,27)28)6-9-3-4-12(14(20)13(9)18)23-16(26)15-11(19)5-10(29-2)7-22-15/h3-5,7H,6,8H2,1-2H3,(H2,21,24)(H,23,26)/t18-/m0/s1
InChIKeyUPKYVEHFSLLHET-SFHVURJKSA-N
XLogP0.96
TPSA126.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(5R)-3-amino-2'-fluoro-2-methyl-1,1-dioxospiro[6H-1,2,4-thiadiazine-5,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-fluoro-5-methoxypyridine-2-carboxamide with MolForge

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Related Compounds

2-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-1-(3-fluoro-5-methoxy-2-pyridinyl)ethanone
CID 159878334
N-[3-[(4aS,7S,7aR)-3-amino-2,7-dimethyl-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 71468495
N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-5-chloro-4-fluorophenyl]-3-fluoro-5-(trideuteriomethoxy)pyridine-2-carboxamide
CID 88594227
N-[3-(5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl)-4,5-difluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide
CID 123325978
N-[3-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 77411750
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]-3-fluoro-5-methoxypyridine-2-carboxamide
CID 70234150
N-[3-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4,5-trifluorophenyl]-5-chloropyridine-2-carboxamide
CID 88594219
N-[6-(3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl)-2-pyridinyl]-3,5-difluoropyridine-2-carboxamide
CID 75630020
N-[3-[(5R)-3-amino-5-butyl-2-methyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-4-fluorophenyl]-3,5-difluoropyridine-2-carboxamide
CID 138722281
N-[5-[(5R)-3-amino-2,5-dimethyl-1,1-dioxo-6H-1,2,4-thiadiazin-5-yl]-2,4-difluorophenyl]-5-chloropyridine-2-carboxamide
CID 51352404
N-(5'-amino-6',6'-dimethyl-1',1'-dioxospiro[1,3-dihydroisochromene-4,3'-2H-1,4-thiazine]-6-yl)-5-methoxy-3-methylpyridine-2-carboxamide
CID 123982742
N-[3-[(4R,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4,5-difluorophenyl]-3-fluoro-5-methoxypyridine-2-carboxamide
CID 90373210

Frequently Asked Questions

What is the IUPAC name of N-[(5R)-3-amino-2'-fluoro-2-methyl-1,1-dioxospiro[6H-1,2,4-thiadiazine-5,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-fluoro-5-methoxypyridine-2-carboxamide?
The IUPAC name of N-[(5R)-3-amino-2'-fluoro-2-methyl-1,1-dioxospiro[6H-1,2,4-thiadiazine-5,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-fluoro-5-methoxypyridine-2-carboxamide (CID 129287228) is N-[(5R)-3-amino-2'-fluoro-2-methyl-1,1-dioxospiro[6H-1,2,4-thiadiazine-5,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-fluoro-5-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[(5R)-3-amino-2'-fluoro-2-methyl-1,1-dioxospiro[6H-1,2,4-thiadiazine-5,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-fluoro-5-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[(5R)-3-amino-2'-fluoro-2-methyl-1,1-dioxospiro[6H-1,2,4-thiadiazine-5,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-fluoro-5-methoxypyridine-2-carboxamide is COc1cnc(C(=O)Nc2ccc3c(c2F)[C@]2(C3)CS(=O)(=O)N(C)C(N)=N2)c(F)c1.
What is the InChIKey of N-[(5R)-3-amino-2'-fluoro-2-methyl-1,1-dioxospiro[6H-1,2,4-thiadiazine-5,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-fluoro-5-methoxypyridine-2-carboxamide?
The InChIKey is UPKYVEHFSLLHET-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17F2N5O4S/c1-25-17(21)24-18(8-30(25,27)28)6-9-3-4-12(14(20)13(9)18)23-16(26)15-11(19)5-10(29-2)7-22-15/h3-5,7H,6,8H2,1-2H3,(H2,21,24)(H,23,26)/t18-/m0/s1.
What are the key properties of N-[(5R)-3-amino-2'-fluoro-2-methyl-1,1-dioxospiro[6H-1,2,4-thiadiazine-5,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-fluoro-5-methoxypyridine-2-carboxamide?
N-[(5R)-3-amino-2'-fluoro-2-methyl-1,1-dioxospiro[6H-1,2,4-thiadiazine-5,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-fluoro-5-methoxypyridine-2-carboxamide has a molecular weight of 437.43 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-3-amino-2'-fluoro-2-methyl-1,1-dioxospiro[6H-1,2,4-thiadiazine-5,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-3'-yl]-3-fluoro-5-methoxypyridine-2-carboxamide is sourced from PubChem (CID 129287228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).