N-[3-[(6S,7R)-9-amino-6-fluoro-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide

C21H21ClF2N4O4S — CID 86715839

IUPACN-[3-[(6S,7R)-9-amino-6-fluoro-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide
SMILESCOc1cc(Cl)cnc1C(=O)Nc1ccc(F)c([C@@]2(C)N=C(N)C3(CCC3)S(=O)(=O)[C@@H]2F)c1
InChIInChI=1S/C21H21ClF2N4O4S/c1-20(18(24)33(30,31)21(6-3-7-21)19(25)28-20)13-9-12(4-5-14(13)23)27-17(29)16-15(32-2)8-11(22)10-26-16/h4-5,8-10,18H,3,6-7H2,1-2H3,(H2,25,28)(H,27,29)/t18-,20+/m0/s1
InChIKeyLXUKIMSDNGFQGI-AZUAARDMSA-N
MW498.94 g/mol
LogP3.35
Rot. Bonds4

About N-[3-[(6S,7R)-9-amino-6-fluoro-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide

N-[3-[(6S,7R)-9-amino-6-fluoro-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide (PubChem CID 86715839) has the molecular formula C21H21ClF2N4O4S and a molecular weight of 498.94 g/mol. Its IUPAC name is N-[3-[(6S,7R)-9-amino-6-fluoro-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(6S,7R)-9-amino-6-fluoro-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide
PubChem CID86715839
Molecular FormulaC21H21ClF2N4O4S
Molecular Weight498.94 g/mol
Exact Mass498.09
IUPAC NameN-[3-[(6S,7R)-9-amino-6-fluoro-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide
SMILESCOc1cc(Cl)cnc1C(=O)Nc1ccc(F)c([C@@]2(C)N=C(N)C3(CCC3)S(=O)(=O)[C@@H]2F)c1
InChIInChI=1S/C21H21ClF2N4O4S/c1-20(18(24)33(30,31)21(6-3-7-21)19(25)28-20)13-9-12(4-5-14(13)23)27-17(29)16-15(32-2)8-11(22)10-26-16/h4-5,8-10,18H,3,6-7H2,1-2H3,(H2,25,28)(H,27,29)/t18-,20+/m0/s1
InChIKeyLXUKIMSDNGFQGI-AZUAARDMSA-N
XLogP3.35
TPSA123.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.94
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[(6S,7R)-9-amino-6-fluoro-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(6S,7R)-9-amino-6-fluoro-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-(difluoromethyl)pyrazine-2-carboxamide
CID 86715840
N-[3-[(1R,5R)-3-amino-2,2,5-trimethyl-1-oxo-1λ6-thia-4,9-diazabicyclo[4.3.0]nona-1(9),3-dien-5-yl]-4-fluorophenyl]-3,5-dichloropyridine-2-carboxamide
CID 126583823
N-[3-[(3R)-5-amino-3-methyl-1,1-dioxo-9-oxa-1λ6-thia-4-azaspiro[5.5]undec-4-en-3-yl]-4-fluorophenyl]-3,5-dichloropyridine-2-carboxamide
CID 71532073
N-[3-[(2R,5S)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 118326732
N-[3-(3,5-diamino-1,1-dioxo-1λ6-thia-4-azaspiro[5.5]undec-4-en-3-yl)-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 123358742
N-[3-(9-amino-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-7-yl)-4-fluorophenyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide
CID 140638445
N-[3-(5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl)-4-fluorophenyl]-5-chloro-3-ethylpyridine-2-carboxamide
CID 123632880
N-[3-[(1S,2R,5R)-4-amino-6-formyl-2,5-dimethyl-8-oxo-8λ4-thia-3-azabicyclo[3.2.1]oct-3-en-2-yl]-4-fluorophenyl]-5-methoxy-3-methylpyrazine-2-carboxamide
CID 144786096
N-[3-[(8R)-10-amino-8-methyl-6,6-dioxo-2-oxa-6λ6-thia-9-azaspiro[4.5]dec-9-en-8-yl]-4-fluorophenyl]-5-chloro-3-cyanopyridine-2-carboxamide
CID 71532736
N-[3-[(2S,5S)-6-amino-2,5-dimethyl-4,5-dihydro-3H-pyridin-2-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 137397316
N-[(4aR,6S,11bR)-2-amino-3,3,6,11b-tetramethyl-4,4-dioxo-5,6-dihydro-4aH-[1]benzoxepino[4,5-b][1,4]thiazin-10-yl]-5-chloro-3-methylpyridine-2-carboxamide
CID 77107285
N-[3-[(2R,3S,5R)-6-amino-3,5-difluoro-2,5-dimethyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-5-cyano-3-methylpyridine-2-carboxamide
CID 162768806

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6S,7R)-9-amino-6-fluoro-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide?
The IUPAC name of N-[3-[(6S,7R)-9-amino-6-fluoro-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide (CID 86715839) is N-[3-[(6S,7R)-9-amino-6-fluoro-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(6S,7R)-9-amino-6-fluoro-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[3-[(6S,7R)-9-amino-6-fluoro-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide is COc1cc(Cl)cnc1C(=O)Nc1ccc(F)c([C@@]2(C)N=C(N)C3(CCC3)S(=O)(=O)[C@@H]2F)c1.
What is the InChIKey of N-[3-[(6S,7R)-9-amino-6-fluoro-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide?
The InChIKey is LXUKIMSDNGFQGI-AZUAARDMSA-N. The full InChI is InChI=1S/C21H21ClF2N4O4S/c1-20(18(24)33(30,31)21(6-3-7-21)19(25)28-20)13-9-12(4-5-14(13)23)27-17(29)16-15(32-2)8-11(22)10-26-16/h4-5,8-10,18H,3,6-7H2,1-2H3,(H2,25,28)(H,27,29)/t18-,20+/m0/s1.
What are the key properties of N-[3-[(6S,7R)-9-amino-6-fluoro-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide?
N-[3-[(6S,7R)-9-amino-6-fluoro-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide has a molecular weight of 498.94 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6S,7R)-9-amino-6-fluoro-7-methyl-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-7-yl]-4-fluorophenyl]-5-chloro-3-methoxypyridine-2-carboxamide is sourced from PubChem (CID 86715839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).