N-[(6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide

C24H23F4N5O5S — CID 146606825

IUPACN-[(6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)CS(C)(=O)=O)C(=O)N[C@](C)(c2ccc(OCC(F)(F)F)cc2F)C3)nc1
InChIInChI=1S/C24H23F4N5O5S/c1-13-4-7-18(29-10-13)33-21(30-19(34)11-39(3,36)37)20-17(32-33)9-23(2,31-22(20)35)15-6-5-14(8-16(15)25)38-12-24(26,27)28/h4-8,10H,9,11-12H2,1-3H3,(H,30,34)(H,31,35)/t23-/m0/s1
InChIKeyBNINAKOORMPWFJ-QHCPKHFHSA-N
MW569.54 g/mol
LogP2.84
Rot. Bonds7

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

N-[(6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide (PubChem CID 146606825) has the molecular formula C24H23F4N5O5S and a molecular weight of 569.54 g/mol. Its IUPAC name is N-[(6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-[(6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide
PubChem CID146606825
Molecular FormulaC24H23F4N5O5S
Molecular Weight569.54 g/mol
Exact Mass569.14
IUPAC NameN-[(6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide
SMILESCc1ccc(-n2nc3c(c2NC(=O)CS(C)(=O)=O)C(=O)N[C@](C)(c2ccc(OCC(F)(F)F)cc2F)C3)nc1
InChIInChI=1S/C24H23F4N5O5S/c1-13-4-7-18(29-10-13)33-21(30-19(34)11-39(3,36)37)20-17(32-33)9-23(2,31-22(20)35)15-6-5-14(8-16(15)25)38-12-24(26,27)28/h4-8,10H,9,11-12H2,1-3H3,(H,30,34)(H,31,35)/t23-/m0/s1
InChIKeyBNINAKOORMPWFJ-QHCPKHFHSA-N
XLogP2.84
TPSA132.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.54
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide?
The IUPAC name of N-[(6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide (CID 146606825) is N-[(6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide.
What is the SMILES notation for N-[(6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide?
The canonical SMILES for N-[(6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide is Cc1ccc(-n2nc3c(c2NC(=O)CS(C)(=O)=O)C(=O)N[C@](C)(c2ccc(OCC(F)(F)F)cc2F)C3)nc1.
What is the InChIKey of N-[(6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide?
The InChIKey is BNINAKOORMPWFJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H23F4N5O5S/c1-13-4-7-18(29-10-13)33-21(30-19(34)11-39(3,36)37)20-17(32-33)9-23(2,31-22(20)35)15-6-5-14(8-16(15)25)38-12-24(26,27)28/h4-8,10H,9,11-12H2,1-3H3,(H,30,34)(H,31,35)/t23-/m0/s1.
What are the key properties of N-[(6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide?
N-[(6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide has a molecular weight of 569.54 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-6-[2-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]-6-methyl-2-(5-methyl-2-pyridinyl)-4-oxo-5,7-dihydropyrazolo[4,3-c]pyridin-3-yl]-2-methylsulfonylacetamide is sourced from PubChem (CID 146606825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).