N-(5-amino-6,6-dimethyl-1,1-dioxospiro[2H-1,4-thiazine-3,8'-6,7-dihydro-5H-naphthalene]-2'-yl)-5-(2-fluoroethoxy)pyrazine-2-carboxamide

C22H26FN5O4S — CID 123744808

IUPACN-(5-amino-6,6-dimethyl-1,1-dioxospiro[2H-1,4-thiazine-3,8'-6,7-dihydro-5H-naphthalene]-2'-yl)-5-(2-fluoroethoxy)pyrazine-2-carboxamide
SMILESCC1(C)C(N)=NC2(CCCc3ccc(NC(=O)c4cnc(OCCF)cn4)cc32)CS1(=O)=O
InChIInChI=1S/C22H26FN5O4S/c1-21(2)20(24)28-22(13-33(21,30)31)7-3-4-14-5-6-15(10-16(14)22)27-19(29)17-11-26-18(12-25-17)32-9-8-23/h5-6,10-12H,3-4,7-9,13H2,1-2H3,(H2,24,28)(H,27,29)
InChIKeyFPERDQBMRPWQLG-UHFFFAOYSA-N
MW475.55 g/mol
LogP2.17
Rot. Bonds5

About N-(5-amino-6,6-dimethyl-1,1-dioxospiro[2H-1,4-thiazine-3,8'-6,7-dihydro-5H-naphthalene]-2'-yl)-5-(2-fluoroethoxy)pyrazine-2-carboxamide

N-(5-amino-6,6-dimethyl-1,1-dioxospiro[2H-1,4-thiazine-3,8'-6,7-dihydro-5H-naphthalene]-2'-yl)-5-(2-fluoroethoxy)pyrazine-2-carboxamide (PubChem CID 123744808) has the molecular formula C22H26FN5O4S and a molecular weight of 475.55 g/mol. Its IUPAC name is N-(5-amino-6,6-dimethyl-1,1-dioxospiro[2H-1,4-thiazine-3,8'-6,7-dihydro-5H-naphthalene]-2'-yl)-5-(2-fluoroethoxy)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-amino-6,6-dimethyl-1,1-dioxospiro[2H-1,4-thiazine-3,8'-6,7-dihydro-5H-naphthalene]-2'-yl)-5-(2-fluoroethoxy)pyrazine-2-carboxamide
PubChem CID123744808
Molecular FormulaC22H26FN5O4S
Molecular Weight475.55 g/mol
Exact Mass475.17
IUPAC NameN-(5-amino-6,6-dimethyl-1,1-dioxospiro[2H-1,4-thiazine-3,8'-6,7-dihydro-5H-naphthalene]-2'-yl)-5-(2-fluoroethoxy)pyrazine-2-carboxamide
SMILESCC1(C)C(N)=NC2(CCCc3ccc(NC(=O)c4cnc(OCCF)cn4)cc32)CS1(=O)=O
InChIInChI=1S/C22H26FN5O4S/c1-21(2)20(24)28-22(13-33(21,30)31)7-3-4-14-5-6-15(10-16(14)22)27-19(29)17-11-26-18(12-25-17)32-9-8-23/h5-6,10-12H,3-4,7-9,13H2,1-2H3,(H2,24,28)(H,27,29)
InChIKeyFPERDQBMRPWQLG-UHFFFAOYSA-N
XLogP2.17
TPSA136.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(5-amino-6,6-dimethyl-1,1-dioxospiro[2H-1,4-thiazine-3,8'-6,7-dihydro-5H-naphthalene]-2'-yl)-5-(2-fluoroethoxy)pyrazine-2-carboxamide with MolForge

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Related Compounds

N-[3-(6-amino-2,4,7,7-tetramethyl-1,1-dioxo-3H-1,2,5-thiadiazepin-4-yl)-4-fluorophenyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide
CID 123805645
2-[(3R)-5-amino-6,6-dimethyl-1,1-dioxospiro[2H-1,4-thiazine-3,8'-6,7-dihydro-5H-naphthalene]-2'-yl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone
CID 157259479
N-[3-[(4S,6R)-2-amino-6-(methoxymethyl)-4,6-dimethyl-5H-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide
CID 126488639
N-[3-(5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl)-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 77143112
N-[3-(3,4-dimethyloxolan-3-yl)-4-fluorophenyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide
CID 123510810
N-[5-[(4S)-2-amino-4,6,6-trimethyl-5H-1,3-thiazin-4-yl]-3-pyridinyl]-5-(2-fluoroethoxy)pyrazine-2-carboxamide
CID 59250370
N-[3-[(3R,6S)-5-amino-6-(4-fluorophenyl)-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 66562467
N-[3-[(3R,6S)-5-amino-6-cyclobutyl-3,6-dimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 89095060
N-[(4R)-3'-amino-2'-methyl-1',1'-dioxospiro[2,3-dihydrochromene-4,5'-6H-1,2,4-thiadiazine]-6-yl]-5-methoxypyrazine-2-carboxamide
CID 122535435
2-[(8R)-3'-amino-2'-methyl-1',1'-dioxospiro[6,7-dihydro-5H-naphthalene-8,5'-6H-1,2,4-thiadiazine]-2-yl]-1-(5-prop-2-ynoxypyrazin-2-yl)ethanone
CID 160693634
N-[3-[(2S)-6-amino-2,5,5-trimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 140946078
N-[3-[(2S,5R)-6-amino-5-cyano-2-(fluoromethyl)-5-methyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-5-methoxypyrazine-2-carboxamide
CID 126733871

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-6,6-dimethyl-1,1-dioxospiro[2H-1,4-thiazine-3,8'-6,7-dihydro-5H-naphthalene]-2'-yl)-5-(2-fluoroethoxy)pyrazine-2-carboxamide?
The IUPAC name of N-(5-amino-6,6-dimethyl-1,1-dioxospiro[2H-1,4-thiazine-3,8'-6,7-dihydro-5H-naphthalene]-2'-yl)-5-(2-fluoroethoxy)pyrazine-2-carboxamide (CID 123744808) is N-(5-amino-6,6-dimethyl-1,1-dioxospiro[2H-1,4-thiazine-3,8'-6,7-dihydro-5H-naphthalene]-2'-yl)-5-(2-fluoroethoxy)pyrazine-2-carboxamide.
What is the SMILES notation for N-(5-amino-6,6-dimethyl-1,1-dioxospiro[2H-1,4-thiazine-3,8'-6,7-dihydro-5H-naphthalene]-2'-yl)-5-(2-fluoroethoxy)pyrazine-2-carboxamide?
The canonical SMILES for N-(5-amino-6,6-dimethyl-1,1-dioxospiro[2H-1,4-thiazine-3,8'-6,7-dihydro-5H-naphthalene]-2'-yl)-5-(2-fluoroethoxy)pyrazine-2-carboxamide is CC1(C)C(N)=NC2(CCCc3ccc(NC(=O)c4cnc(OCCF)cn4)cc32)CS1(=O)=O.
What is the InChIKey of N-(5-amino-6,6-dimethyl-1,1-dioxospiro[2H-1,4-thiazine-3,8'-6,7-dihydro-5H-naphthalene]-2'-yl)-5-(2-fluoroethoxy)pyrazine-2-carboxamide?
The InChIKey is FPERDQBMRPWQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O4S/c1-21(2)20(24)28-22(13-33(21,30)31)7-3-4-14-5-6-15(10-16(14)22)27-19(29)17-11-26-18(12-25-17)32-9-8-23/h5-6,10-12H,3-4,7-9,13H2,1-2H3,(H2,24,28)(H,27,29).
What are the key properties of N-(5-amino-6,6-dimethyl-1,1-dioxospiro[2H-1,4-thiazine-3,8'-6,7-dihydro-5H-naphthalene]-2'-yl)-5-(2-fluoroethoxy)pyrazine-2-carboxamide?
N-(5-amino-6,6-dimethyl-1,1-dioxospiro[2H-1,4-thiazine-3,8'-6,7-dihydro-5H-naphthalene]-2'-yl)-5-(2-fluoroethoxy)pyrazine-2-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 2.17, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-6,6-dimethyl-1,1-dioxospiro[2H-1,4-thiazine-3,8'-6,7-dihydro-5H-naphthalene]-2'-yl)-5-(2-fluoroethoxy)pyrazine-2-carboxamide is sourced from PubChem (CID 123744808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).