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

C24H20F5N5O5S — CID 171739989

IUPACN-[(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
SMILESCS(=O)(=O)CC(=O)Nc1c2c(nn1-c1ccc(F)cn1)C[C@@]1(CCc3cc(OCC(F)(F)F)cc(F)c31)NC2=O
InChIInChI=1S/C24H20F5N5O5S/c1-40(37,38)10-18(35)31-21-19-16(33-34(21)17-3-2-13(25)9-30-17)8-23(32-22(19)36)5-4-12-6-14(7-15(26)20(12)23)39-11-24(27,28)29/h2-3,6-7,9H,4-5,8,10-11H2,1H3,(H,31,35)(H,32,36)/t23-/m1/s1
InChIKeySISHHFOBWYFXOV-HSZRJFAPSA-N
MW585.51 g/mol
LogP2.60
Rot. Bonds6

About 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

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 (PubChem CID 171739989) has the molecular formula C24H20F5N5O5S and a molecular weight of 585.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[(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
PubChem CID171739989
Molecular FormulaC24H20F5N5O5S
Molecular Weight585.51 g/mol
Exact Mass585.11
IUPAC NameN-[(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
SMILESCS(=O)(=O)CC(=O)Nc1c2c(nn1-c1ccc(F)cn1)C[C@@]1(CCc3cc(OCC(F)(F)F)cc(F)c31)NC2=O
InChIInChI=1S/C24H20F5N5O5S/c1-40(37,38)10-18(35)31-21-19-16(33-34(21)17-3-2-13(25)9-30-17)8-23(32-22(19)36)5-4-12-6-14(7-15(26)20(12)23)39-11-24(27,28)29/h2-3,6-7,9H,4-5,8,10-11H2,1H3,(H,31,35)(H,32,36)/t23-/m1/s1
InChIKeySISHHFOBWYFXOV-HSZRJFAPSA-N
XLogP2.60
TPSA132.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.51
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CS(=O)(=O)CC(=O)Nc1c2c(nn1-c1ccc(F)cn1)C[C@@]1(CCc3cc(OCC(F)(F)F)cc(F)c31)NC2=O.
What is the InChIKey of 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?
The InChIKey is SISHHFOBWYFXOV-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H20F5N5O5S/c1-40(37,38)10-18(35)31-21-19-16(33-34(21)17-3-2-13(25)9-30-17)8-23(32-22(19)36)5-4-12-6-14(7-15(26)20(12)23)39-11-24(27,28)29/h2-3,6-7,9H,4-5,8,10-11H2,1H3,(H,31,35)(H,32,36)/t23-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 585.51 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171739989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).