N-[(6S)-2-(5-fluoro-2-pyridinyl)-6-[2-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide

C24H22F5N5O5S — CID 174257280

IUPACN-[(6S)-2-(5-fluoro-2-pyridinyl)-6-[2-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)Nc1c2c(nn1-c1ccc(F)cn1)C[C@H](CCc1cc(F)cc(OCC(F)(F)F)c1)NC2=O
InChIInChI=1S/C24H22F5N5O5S/c1-40(37,38)11-20(35)32-22-21-18(33-34(22)19-5-3-14(25)10-30-19)9-16(31-23(21)36)4-2-13-6-15(26)8-17(7-13)39-12-24(27,28)29/h3,5-8,10,16H,2,4,9,11-12H2,1H3,(H,31,36)(H,32,35)/t16-/m0/s1
InChIKeyGTOSKMHZLGCQKY-INIZCTEOSA-N
MW587.53 g/mol
LogP2.76
Rot. Bonds9

About N-[(6S)-2-(5-fluoro-2-pyridinyl)-6-[2-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide

N-[(6S)-2-(5-fluoro-2-pyridinyl)-6-[2-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide (PubChem CID 174257280) has the molecular formula C24H22F5N5O5S and a molecular weight of 587.53 g/mol. Its IUPAC name is N-[(6S)-2-(5-fluoro-2-pyridinyl)-6-[2-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-[(6S)-2-(5-fluoro-2-pyridinyl)-6-[2-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide
PubChem CID174257280
Molecular FormulaC24H22F5N5O5S
Molecular Weight587.53 g/mol
Exact Mass587.13
IUPAC NameN-[(6S)-2-(5-fluoro-2-pyridinyl)-6-[2-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)Nc1c2c(nn1-c1ccc(F)cn1)C[C@H](CCc1cc(F)cc(OCC(F)(F)F)c1)NC2=O
InChIInChI=1S/C24H22F5N5O5S/c1-40(37,38)11-20(35)32-22-21-18(33-34(22)19-5-3-14(25)10-30-19)9-16(31-23(21)36)4-2-13-6-15(26)8-17(7-13)39-12-24(27,28)29/h3,5-8,10,16H,2,4,9,11-12H2,1H3,(H,31,36)(H,32,35)/t16-/m0/s1
InChIKeyGTOSKMHZLGCQKY-INIZCTEOSA-N
XLogP2.76
TPSA132.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.53
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(6S)-2-(5-fluoro-2-pyridinyl)-6-[2-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide with MolForge

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Related Compounds

N-[(6S)-2-(5-cyano-2-pyridinyl)-6-[2-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide
CID 174257052
2-methylsulfonyl-N-[(6S)-4-oxo-2-(5-prop-1-en-2-yl-2-pyridinyl)-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
CID 174257486
2-methylsulfonyl-N-[(6S)-4-oxo-2-(4,4,4-trifluorobutyl)-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
CID 174257221
N-[(3R)-4-fluoro-2'-(5-fluoro-2-pyridinyl)-4'-oxo-6-(2,2,2-trifluoroethoxy)spiro[1,2-dihydroindene-3,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide
CID 171739989
N-[(6S)-2-(4-cyano-3-methylphenyl)-6-[2-[2-methyl-5-(2,2,2-trifluoroethoxy)phenyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide
CID 155115466
2-methylsulfonyl-N-[(6R)-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenoxy]ethyl]-2-(5,5,5-trifluoropentyl)-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]acetamide
CID 155115938
N-[(6S)-2-(2-cyclopropylethyl)-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfinylacetamide
CID 155115956
(6S)-N-benzylsulfonyl-2-(5-cyano-2-pyridinyl)-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 155115972
N-[(4S)-2'-[5-(aminomethyl)-2-pyridinyl]-4'-oxo-7-(2,2,2-trifluoroethoxy)spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]-2-methylsulfonylacetamide
CID 155613798
2-methylsulfonyl-N-[(4R)-4'-oxo-7-(2,2,2-trifluoroethoxy)-2'-[5-(trifluoromethyl)-2-pyridinyl]spiro[2,3-dihydrochromene-4,6'-5,7-dihydropyrazolo[4,3-c]pyridine]-3'-yl]acetamide
CID 146608240
N-[(6S)-2-(2-cyclopropylethyl)-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethoxy)acetamide
CID 155115991
N-[2-(3-methoxypropyl)-4-oxo-6-[2-[3-(2,2,2-trifluoroethoxy)phenyl]ethyl]-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfanylacetamide
CID 146606767

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-2-(5-fluoro-2-pyridinyl)-6-[2-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide?
The IUPAC name of N-[(6S)-2-(5-fluoro-2-pyridinyl)-6-[2-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide (CID 174257280) is N-[(6S)-2-(5-fluoro-2-pyridinyl)-6-[2-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide.
What is the SMILES notation for N-[(6S)-2-(5-fluoro-2-pyridinyl)-6-[2-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide?
The canonical SMILES for N-[(6S)-2-(5-fluoro-2-pyridinyl)-6-[2-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide is CS(=O)(=O)CC(=O)Nc1c2c(nn1-c1ccc(F)cn1)C[C@H](CCc1cc(F)cc(OCC(F)(F)F)c1)NC2=O.
What is the InChIKey of N-[(6S)-2-(5-fluoro-2-pyridinyl)-6-[2-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide?
The InChIKey is GTOSKMHZLGCQKY-INIZCTEOSA-N. The full InChI is InChI=1S/C24H22F5N5O5S/c1-40(37,38)11-20(35)32-22-21-18(33-34(22)19-5-3-14(25)10-30-19)9-16(31-23(21)36)4-2-13-6-15(26)8-17(7-13)39-12-24(27,28)29/h3,5-8,10,16H,2,4,9,11-12H2,1H3,(H,31,36)(H,32,35)/t16-/m0/s1.
What are the key properties of N-[(6S)-2-(5-fluoro-2-pyridinyl)-6-[2-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide?
N-[(6S)-2-(5-fluoro-2-pyridinyl)-6-[2-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide has a molecular weight of 587.53 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-2-(5-fluoro-2-pyridinyl)-6-[2-[3-fluoro-5-(2,2,2-trifluoroethoxy)phenyl]ethyl]-4-oxo-6,7-dihydro-5H-pyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide is sourced from PubChem (CID 174257280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).