N-[3-[(5R,10R)-8-amino-7,10-dimethyl-6,6-dioxo-2-(3,3,3-trifluoropropyl)-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide

C24H28F4N6O4S — CID 75203540

IUPACN-[3-[(5R,10R)-8-amino-7,10-dimethyl-6,6-dioxo-2-(3,3,3-trifluoropropyl)-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)N(C)S(=O)(=O)[C@@]34CCN(CCC(F)(F)F)C4)c2)nc1
InChIInChI=1S/C24H28F4N6O4S/c1-22(17-12-15(4-6-18(17)25)31-20(35)19-7-5-16(38-3)13-30-19)23(39(36,37)33(2)21(29)32-22)8-10-34(14-23)11-9-24(26,27)28/h4-7,12-13H,8-11,14H2,1-3H3,(H2,29,32)(H,31,35)/t22-,23-/m1/s1
InChIKeyFCNSILZIDHFQQL-DHIUTWEWSA-N
MW572.59 g/mol
LogP2.68
Rot. Bonds6

About N-[3-[(5R,10R)-8-amino-7,10-dimethyl-6,6-dioxo-2-(3,3,3-trifluoropropyl)-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide

N-[3-[(5R,10R)-8-amino-7,10-dimethyl-6,6-dioxo-2-(3,3,3-trifluoropropyl)-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide (PubChem CID 75203540) has the molecular formula C24H28F4N6O4S and a molecular weight of 572.59 g/mol. Its IUPAC name is N-[3-[(5R,10R)-8-amino-7,10-dimethyl-6,6-dioxo-2-(3,3,3-trifluoropropyl)-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(5R,10R)-8-amino-7,10-dimethyl-6,6-dioxo-2-(3,3,3-trifluoropropyl)-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
PubChem CID75203540
Molecular FormulaC24H28F4N6O4S
Molecular Weight572.59 g/mol
Exact Mass572.18
IUPAC NameN-[3-[(5R,10R)-8-amino-7,10-dimethyl-6,6-dioxo-2-(3,3,3-trifluoropropyl)-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)N(C)S(=O)(=O)[C@@]34CCN(CCC(F)(F)F)C4)c2)nc1
InChIInChI=1S/C24H28F4N6O4S/c1-22(17-12-15(4-6-18(17)25)31-20(35)19-7-5-16(38-3)13-30-19)23(39(36,37)33(2)21(29)32-22)8-10-34(14-23)11-9-24(26,27)28/h4-7,12-13H,8-11,14H2,1-3H3,(H2,29,32)(H,31,35)/t22-,23-/m1/s1
InChIKeyFCNSILZIDHFQQL-DHIUTWEWSA-N
XLogP2.68
TPSA130.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500572.59
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[3-[(5R,10R)-8-amino-7,10-dimethyl-6,6-dioxo-2-(3,3,3-trifluoropropyl)-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide with MolForge

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Related Compounds

N-{3-[(2S,5R)-6-amino-5-(ethanesulfonyl)-2-(fluoromethyl)-5-methyl-2,3,4,5-tetrahydropyridin-2-yl]-4-fluorophenyl}-2,2-difluoro-2H-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide
CID 156612914
US9605007, Comparator 3
CID 118441559
5-Ethoxy-Pyridine-2-Carboxylic Acid [3-((R)-2-Amino-5,5-Difluoro-4-Methyl-5,6-Dihydro-4h-[1,3]oxazin-4-Yl)-4-Fluoro-Phenyl]-Amide
CID 71305034
N-[3-[(4S,6S)-2-amino-4-methyl-6-(trifluoromethyl)-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyridine-2-carboxamide
CID 155517833
N-[3-[(4S,6S)-2-amino-6-(1,1-difluoroethyl)-4-methyl-5,6-dihydro-1,3-thiazin-4-yl]-4-fluorophenyl]-5-(fluoromethoxy)pyridine-2-carboxamide
CID 155537873
N-[3-[(6R)-4-amino-2-cyano-6-methyl-7H-pyrazolo[1,5-a]pyrazin-6-yl]-4-fluorophenyl]-5-(difluoromethoxy)pyridine-2-carboxamide
CID 166633393
CID 53240812
CID 53240812
CID 53241933
CID 53241933
N-(3-((4aR,7aR)-2-amino-4a,5,6,7a-tetrahydro-4H-furo[2,3-d][1,3]thiazin-7a-yl)-4-fluorophenyl)-5-(difluoromethoxy)picolinamide
CID 86762164
N-[3-[(3R,6R)-5-amino-3,6-dimethyl-6-(trifluoromethyl)-2H-1,4-oxazin-3-yl]-4-fluorophenyl]-5-(difluoromethoxy)-3-methylpyridine-2-carboxamide
CID 89870630
CID 118866737
CID 118866737
N-[3-[(3S,4aR,7aS)-2-amino-3,4a-difluoro-3-methyl-5,7-dihydro-4H-furo[3,4-b]pyridin-7a-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide
CID 126591378

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5R,10R)-8-amino-7,10-dimethyl-6,6-dioxo-2-(3,3,3-trifluoropropyl)-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide?
The IUPAC name of N-[3-[(5R,10R)-8-amino-7,10-dimethyl-6,6-dioxo-2-(3,3,3-trifluoropropyl)-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide (CID 75203540) is N-[3-[(5R,10R)-8-amino-7,10-dimethyl-6,6-dioxo-2-(3,3,3-trifluoropropyl)-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(5R,10R)-8-amino-7,10-dimethyl-6,6-dioxo-2-(3,3,3-trifluoropropyl)-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide?
The canonical SMILES for N-[3-[(5R,10R)-8-amino-7,10-dimethyl-6,6-dioxo-2-(3,3,3-trifluoropropyl)-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide is COc1ccc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)N(C)S(=O)(=O)[C@@]34CCN(CCC(F)(F)F)C4)c2)nc1.
What is the InChIKey of N-[3-[(5R,10R)-8-amino-7,10-dimethyl-6,6-dioxo-2-(3,3,3-trifluoropropyl)-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide?
The InChIKey is FCNSILZIDHFQQL-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H28F4N6O4S/c1-22(17-12-15(4-6-18(17)25)31-20(35)19-7-5-16(38-3)13-30-19)23(39(36,37)33(2)21(29)32-22)8-10-34(14-23)11-9-24(26,27)28/h4-7,12-13H,8-11,14H2,1-3H3,(H2,29,32)(H,31,35)/t22-,23-/m1/s1.
What are the key properties of N-[3-[(5R,10R)-8-amino-7,10-dimethyl-6,6-dioxo-2-(3,3,3-trifluoropropyl)-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide?
N-[3-[(5R,10R)-8-amino-7,10-dimethyl-6,6-dioxo-2-(3,3,3-trifluoropropyl)-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide has a molecular weight of 572.59 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5R,10R)-8-amino-7,10-dimethyl-6,6-dioxo-2-(3,3,3-trifluoropropyl)-6λ6-thia-2,7,9-triazaspiro[4.5]dec-8-en-10-yl]-4-fluorophenyl]-5-methoxypyridine-2-carboxamide is sourced from PubChem (CID 75203540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).