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

C20H19F4N5O3S — CID 86715840

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-(difluoromethyl)pyrazine-2-carboxamide
SMILESC[C@]1(c2cc(NC(=O)c3cnc(C(F)F)cn3)ccc2F)N=C(N)C2(CCC2)S(=O)(=O)[C@@H]1F
InChIInChI=1S/C20H19F4N5O3S/c1-19(17(24)33(31,32)20(5-2-6-20)18(25)29-19)11-7-10(3-4-12(11)21)28-16(30)14-9-26-13(8-27-14)15(22)23/h3-4,7-9,15,17H,2,5-6H2,1H3,(H2,25,29)(H,28,30)/t17-,19+/m0/s1
InChIKeyAONMHFMVNVUCSG-PKOBYXMFSA-N
MW485.46 g/mol
LogP3.02
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-(difluoromethyl)pyrazine-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-(difluoromethyl)pyrazine-2-carboxamide (PubChem CID 86715840) has the molecular formula C20H19F4N5O3S and a molecular weight of 485.46 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-(difluoromethyl)pyrazine-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-(difluoromethyl)pyrazine-2-carboxamide
PubChem CID86715840
Molecular FormulaC20H19F4N5O3S
Molecular Weight485.46 g/mol
Exact Mass485.11
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-(difluoromethyl)pyrazine-2-carboxamide
SMILESC[C@]1(c2cc(NC(=O)c3cnc(C(F)F)cn3)ccc2F)N=C(N)C2(CCC2)S(=O)(=O)[C@@H]1F
InChIInChI=1S/C20H19F4N5O3S/c1-19(17(24)33(31,32)20(5-2-6-20)18(25)29-19)11-7-10(3-4-12(11)21)28-16(30)14-9-26-13(8-27-14)15(22)23/h3-4,7-9,15,17H,2,5-6H2,1H3,(H2,25,29)(H,28,30)/t17-,19+/m0/s1
InChIKeyAONMHFMVNVUCSG-PKOBYXMFSA-N
XLogP3.02
TPSA127.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.46
LogP ≤ 53.02
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-(difluoromethyl)pyrazine-2-carboxamide with MolForge

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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-chloro-3-methoxypyridine-2-carboxamide
CID 86715839
N-[3-(6-amino-3,3,5-trifluoro-2,5-dimethyl-4H-pyridin-2-yl)-4-fluorophenyl]-5-(difluoromethyl)pyrazine-2-carboxamide
CID 123530631
N-[3-[(4aS,7aR)-2-amino-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-7a-yl]-4-fluorophenyl]-5-(difluoromethyl)pyrazine-2-carboxamide
CID 123924677
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-[(8R)-10-amino-8-methyl-6,6-dioxo-6λ6-thia-9-azaspiro[4.5]dec-9-en-8-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 89419853
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-(2-amino-4-methyl-4a,5,6,8-tetrahydro-4H-pyrano[3,4-d][1,3]thiazin-8a-yl)-4-fluorophenyl]-5-(difluoromethyl)pyrazine-2-carboxamide
CID 68586906
N-[3-[(4S,7R,8aR)-2-amino-4-(fluoromethyl)-7-methyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-e][1,3]oxazin-4-yl]-4-fluorophenyl]-5-(difluoromethyl)pyrazine-2-carboxamide
CID 166685674
N-[3-[(5R,6S)-3-amino-1-hydroxy-2,2,5-trimethyl-1λ4-thia-4,9-diazabicyclo[4.3.0]non-3-en-5-yl]-4-fluorophenyl]-5-fluoropyridine-2-carboxamide
CID 126572930
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-[(1R,5R,6S)-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]-5-cyanopyridine-2-carboxamide
CID 126583860
N-[3-[(4aR,7aR)-3-amino-2-methyl-1,1-dioxo-5,6,7,7a-tetrahydrocyclopenta[e][1,2,4]thiadiazin-4a-yl]-4-fluorophenyl]-5-(trifluoromethyl)pyrazine-2-carboxamide
CID 129202107

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-(difluoromethyl)pyrazine-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-(difluoromethyl)pyrazine-2-carboxamide (CID 86715840) 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-(difluoromethyl)pyrazine-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-(difluoromethyl)pyrazine-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-(difluoromethyl)pyrazine-2-carboxamide is C[C@]1(c2cc(NC(=O)c3cnc(C(F)F)cn3)ccc2F)N=C(N)C2(CCC2)S(=O)(=O)[C@@H]1F.
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-(difluoromethyl)pyrazine-2-carboxamide?
The InChIKey is AONMHFMVNVUCSG-PKOBYXMFSA-N. The full InChI is InChI=1S/C20H19F4N5O3S/c1-19(17(24)33(31,32)20(5-2-6-20)18(25)29-19)11-7-10(3-4-12(11)21)28-16(30)14-9-26-13(8-27-14)15(22)23/h3-4,7-9,15,17H,2,5-6H2,1H3,(H2,25,29)(H,28,30)/t17-,19+/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-(difluoromethyl)pyrazine-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-(difluoromethyl)pyrazine-2-carboxamide has a molecular weight of 485.46 g/mol, XLogP of 3.02, 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-(difluoromethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 86715840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).