7-(aminosulfonimidoyl)-N-[(2R)-2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-(methoxymethyl)-3H-pyrazolo[5,1-b][1,3]oxazole-2-carboxamide

C20H24FN5O4S — CID 168751130

IUPAC7-(aminosulfonimidoyl)-N-[(2R)-2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-(methoxymethyl)-3H-pyrazolo[5,1-b][1,3]oxazole-2-carboxamide
SMILES[H]N=S(N)(=O)c1cnn2c1OC(COC)(C(=O)Nc1c3c(cc4c1C[C@H](F)C4)CCC3)C2
InChIInChI=1S/C20H24FN5O4S/c1-29-10-20(9-26-18(30-20)16(8-24-26)31(22,23)28)19(27)25-17-14-4-2-3-11(14)5-12-6-13(21)7-15(12)17/h5,8,13H,2-4,6-7,9-10H2,1H3,(H,25,27)(H3,22,23,28)/t13-,20?/m1/s1
InChIKeyLFYDZRQVGIMLFV-CRIUFTBBSA-N
MW449.51 g/mol
LogP1.50
Rot. Bonds5

About 7-(aminosulfonimidoyl)-N-[(2R)-2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-(methoxymethyl)-3H-pyrazolo[5,1-b][1,3]oxazole-2-carboxamide

7-(aminosulfonimidoyl)-N-[(2R)-2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-(methoxymethyl)-3H-pyrazolo[5,1-b][1,3]oxazole-2-carboxamide (PubChem CID 168751130) has the molecular formula C20H24FN5O4S and a molecular weight of 449.51 g/mol. Its IUPAC name is 7-(aminosulfonimidoyl)-N-[(2R)-2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-(methoxymethyl)-3H-pyrazolo[5,1-b][1,3]oxazole-2-carboxamide.

Molecular Properties

Compound Name7-(aminosulfonimidoyl)-N-[(2R)-2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-(methoxymethyl)-3H-pyrazolo[5,1-b][1,3]oxazole-2-carboxamide
PubChem CID168751130
Molecular FormulaC20H24FN5O4S
Molecular Weight449.51 g/mol
Exact Mass449.15
IUPAC Name7-(aminosulfonimidoyl)-N-[(2R)-2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-(methoxymethyl)-3H-pyrazolo[5,1-b][1,3]oxazole-2-carboxamide
SMILES[H]N=S(N)(=O)c1cnn2c1OC(COC)(C(=O)Nc1c3c(cc4c1C[C@H](F)C4)CCC3)C2
InChIInChI=1S/C20H24FN5O4S/c1-29-10-20(9-26-18(30-20)16(8-24-26)31(22,23)28)19(27)25-17-14-4-2-3-11(14)5-12-6-13(21)7-15(12)17/h5,8,13H,2-4,6-7,9-10H2,1H3,(H,25,27)(H3,22,23,28)/t13-,20?/m1/s1
InChIKeyLFYDZRQVGIMLFV-CRIUFTBBSA-N
XLogP1.50
TPSA132.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 7-(aminosulfonimidoyl)-N-[(2R)-2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-(methoxymethyl)-3H-pyrazolo[5,1-b][1,3]oxazole-2-carboxamide with MolForge

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Related Compounds

7-(aminosulfonimidoyl)-N-[(2R)-2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole-3-carboxamide
CID 168751166
N-[(2R)-2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-methyl-7-[(tritylamino)sulfonimidoyl]-3H-pyrazolo[5,1-b][1,3]oxazole-2-carboxamide
CID 168751025
1-[amino-[(2S)-2-(methoxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl]-oxo-λ6-sulfanylidene]-3-[(2S)-2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea
CID 165370297
1-[amino-(3,3-dimethyl-2H-pyrazolo[5,1-b][1,3]oxazol-7-yl)-oxo-λ6-sulfanylidene]-3-(2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 168751002
1-[amino-[6-(azetidin-1-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-oxo-λ6-sulfanylidene]-3-[(2S)-2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]urea
CID 165370391
7-(aminosulfonimidoyl)-N-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(hydroxymethyl)-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-2-carboxamide
CID 175814500
1-[amino-(6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl)-oxo-λ6-sulfanylidene]-3-(2,6-difluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 165370245
1-[amino-[2-methyl-2-(methylaminomethyl)-3H-pyrazolo[5,1-b][1,3]oxazol-7-yl]-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 165369624
7-(aminosulfonimidoyl)-N-[(3R)-3-(methoxymethyl)-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-3-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazole-2-carboxamide
CID 168750947
1-[amino-[(6R)-6-fluoro-6-methyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl]-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 165369952
1-[amino-[(6R)-6-methyl-6-(trifluoromethyl)-5,7-dihydropyrazolo[5,1-b][1,3]oxazin-3-yl]-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 165369866
1-[amino-[6-(methoxymethyl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-3-yl]-oxo-λ6-sulfanylidene]-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea
CID 165370006

Frequently Asked Questions

What is the IUPAC name of 7-(aminosulfonimidoyl)-N-[(2R)-2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-(methoxymethyl)-3H-pyrazolo[5,1-b][1,3]oxazole-2-carboxamide?
The IUPAC name of 7-(aminosulfonimidoyl)-N-[(2R)-2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-(methoxymethyl)-3H-pyrazolo[5,1-b][1,3]oxazole-2-carboxamide (CID 168751130) is 7-(aminosulfonimidoyl)-N-[(2R)-2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-(methoxymethyl)-3H-pyrazolo[5,1-b][1,3]oxazole-2-carboxamide.
What is the SMILES notation for 7-(aminosulfonimidoyl)-N-[(2R)-2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-(methoxymethyl)-3H-pyrazolo[5,1-b][1,3]oxazole-2-carboxamide?
The canonical SMILES for 7-(aminosulfonimidoyl)-N-[(2R)-2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-(methoxymethyl)-3H-pyrazolo[5,1-b][1,3]oxazole-2-carboxamide is [H]N=S(N)(=O)c1cnn2c1OC(COC)(C(=O)Nc1c3c(cc4c1C[C@H](F)C4)CCC3)C2.
What is the InChIKey of 7-(aminosulfonimidoyl)-N-[(2R)-2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-(methoxymethyl)-3H-pyrazolo[5,1-b][1,3]oxazole-2-carboxamide?
The InChIKey is LFYDZRQVGIMLFV-CRIUFTBBSA-N. The full InChI is InChI=1S/C20H24FN5O4S/c1-29-10-20(9-26-18(30-20)16(8-24-26)31(22,23)28)19(27)25-17-14-4-2-3-11(14)5-12-6-13(21)7-15(12)17/h5,8,13H,2-4,6-7,9-10H2,1H3,(H,25,27)(H3,22,23,28)/t13-,20?/m1/s1.
What are the key properties of 7-(aminosulfonimidoyl)-N-[(2R)-2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-(methoxymethyl)-3H-pyrazolo[5,1-b][1,3]oxazole-2-carboxamide?
7-(aminosulfonimidoyl)-N-[(2R)-2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-(methoxymethyl)-3H-pyrazolo[5,1-b][1,3]oxazole-2-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 1.50, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminosulfonimidoyl)-N-[(2R)-2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2-(methoxymethyl)-3H-pyrazolo[5,1-b][1,3]oxazole-2-carboxamide is sourced from PubChem (CID 168751130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).