N-(2-amino-5'-fluoro-7'-methoxyspiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2'-yl)-5-chloropyridine-2-carboxamide

C23H18ClFN4O3S — CID 78105159

IUPACN-(2-amino-5'-fluoro-7'-methoxyspiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2'-yl)-5-chloropyridine-2-carboxamide
SMILESCOc1cc(F)c2c(c1)C1(CCSC(N)=N1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1O2
InChIInChI=1S/C23H18ClFN4O3S/c1-31-14-9-16-20(17(25)10-14)32-19-5-3-13(28-21(30)18-4-2-12(24)11-27-18)8-15(19)23(16)6-7-33-22(26)29-23/h2-5,8-11H,6-7H2,1H3,(H2,26,29)(H,28,30)
InChIKeyIZBWNYFGJABTCT-UHFFFAOYSA-N
MW484.94 g/mol
LogP4.94
Rot. Bonds3

About N-(2-amino-5'-fluoro-7'-methoxyspiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2'-yl)-5-chloropyridine-2-carboxamide

N-(2-amino-5'-fluoro-7'-methoxyspiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2'-yl)-5-chloropyridine-2-carboxamide (PubChem CID 78105159) has the molecular formula C23H18ClFN4O3S and a molecular weight of 484.94 g/mol. Its IUPAC name is N-(2-amino-5'-fluoro-7'-methoxyspiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2'-yl)-5-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-5'-fluoro-7'-methoxyspiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2'-yl)-5-chloropyridine-2-carboxamide
PubChem CID78105159
Molecular FormulaC23H18ClFN4O3S
Molecular Weight484.94 g/mol
Exact Mass484.08
IUPAC NameN-(2-amino-5'-fluoro-7'-methoxyspiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2'-yl)-5-chloropyridine-2-carboxamide
SMILESCOc1cc(F)c2c(c1)C1(CCSC(N)=N1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1O2
InChIInChI=1S/C23H18ClFN4O3S/c1-31-14-9-16-20(17(25)10-14)32-19-5-3-13(28-21(30)18-4-2-12(24)11-27-18)8-15(19)23(16)6-7-33-22(26)29-23/h2-5,8-11H,6-7H2,1H3,(H2,26,29)(H,28,30)
InChIKeyIZBWNYFGJABTCT-UHFFFAOYSA-N
XLogP4.94
TPSA98.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.94
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-amino-7'-(3,6-dihydro-2H-pyran-5-yl)spiro[5H-1,3-oxazole-4,9'-xanthene]-2'-yl]-5-chloropyridine-2-carboxamide
CID 127044896
N-[3-(4-amino-2-methyl-1,3-benzoxazin-2-yl)-4-fluorophenyl]-5-chloropyridine-2-carboxamide
CID 73353578
N-[(4aR,11bR)-2-amino-3,3,11b-trimethyl-4,4-dioxo-5,6-dihydro-4aH-[1]benzoxepino[4,5-b][1,4]thiazin-10-yl]-5-chloro-3-methylpyridine-2-carboxamide
CID 90308598
N-[2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
CID 78104985
N-[2-amino-1'-fluoro-3'-(2-fluoro-4-pyridinyl)spiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-methoxypyridine-2-carboxamide
CID 78104986
N-[2-amino-3'-(3,6-dihydro-2H-pyran-4-yl)-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-fluoropyridine-2-carboxamide
CID 78104988
N-[2-amino-3'-(3,6-dihydro-2H-pyran-5-yl)-1'-fluorospiro[5,6-dihydro-1,3-thiazine-4,5'-chromeno[2,3-c]pyridine]-7'-yl]-5-chloropyridine-2-carboxamide
CID 78105228
CID 90056502
CID 90056502
N-[3-[(4R,5R,6R)-2-amino-5-fluoro-4,6-dimethyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-3,4-dihydro-2H-pyrano[3,2-c]pyridine-7-carboxamide
CID 166629235
N-[3-[2-amino-4-(4-methoxyphenyl)-5H-1,3-thiazol-4-yl]phenyl]-3,5-dichloropyridine-2-carboxamide
CID 53242151
N-(4'-Amino-5'-methylspiro[chroman-4,2'-imidazole]-6-yl)-5-chloropicolinamide
CID 57385111
N-(4'-Amino-5'-methylspiro[chroman-4,2'-imidazole]-6-yl)-3,5-dichloropicolinamide
CID 57385115

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5'-fluoro-7'-methoxyspiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2'-yl)-5-chloropyridine-2-carboxamide?
The IUPAC name of N-(2-amino-5'-fluoro-7'-methoxyspiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2'-yl)-5-chloropyridine-2-carboxamide (CID 78105159) is N-(2-amino-5'-fluoro-7'-methoxyspiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2'-yl)-5-chloropyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-5'-fluoro-7'-methoxyspiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2'-yl)-5-chloropyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-5'-fluoro-7'-methoxyspiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2'-yl)-5-chloropyridine-2-carboxamide is COc1cc(F)c2c(c1)C1(CCSC(N)=N1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1O2.
What is the InChIKey of N-(2-amino-5'-fluoro-7'-methoxyspiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2'-yl)-5-chloropyridine-2-carboxamide?
The InChIKey is IZBWNYFGJABTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClFN4O3S/c1-31-14-9-16-20(17(25)10-14)32-19-5-3-13(28-21(30)18-4-2-12(24)11-27-18)8-15(19)23(16)6-7-33-22(26)29-23/h2-5,8-11H,6-7H2,1H3,(H2,26,29)(H,28,30).
What are the key properties of N-(2-amino-5'-fluoro-7'-methoxyspiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2'-yl)-5-chloropyridine-2-carboxamide?
N-(2-amino-5'-fluoro-7'-methoxyspiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2'-yl)-5-chloropyridine-2-carboxamide has a molecular weight of 484.94 g/mol, XLogP of 4.94, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5'-fluoro-7'-methoxyspiro[5,6-dihydro-1,3-thiazine-4,9'-xanthene]-2'-yl)-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 78105159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).