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

C20H24FN5O3S — CID 168751166

IUPAC7-(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
SMILES[H]N=S(N)(=O)c1cnn2c1OC(C)(C)C2C(=O)Nc1c2c(cc3c1C[C@H](F)C3)CCC2
InChIInChI=1S/C20H24FN5O3S/c1-20(2)17(26-19(29-20)15(9-24-26)30(22,23)28)18(27)25-16-13-5-3-4-10(13)6-11-7-12(21)8-14(11)16/h6,9,12,17H,3-5,7-8H2,1-2H3,(H,25,27)(H3,22,23,28)/t12-,17?/m1/s1
InChIKeyKSQTVRPIRXKQJI-MTATWXBHSA-N
MW433.51 g/mol
LogP2.44
Rot. Bonds3

About 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

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 (PubChem CID 168751166) has the molecular formula C20H24FN5O3S and a molecular weight of 433.51 g/mol. Its IUPAC name is 7-(aminosulfonimidoyl)-N-[(2R)-2-fluoro-1,2,3,5,6,7-hexahydro-s-indacen-4-yl]-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole-3-carboxamide.

Molecular Properties

Compound Name7-(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
PubChem CID168751166
Molecular FormulaC20H24FN5O3S
Molecular Weight433.51 g/mol
Exact Mass433.16
IUPAC Name7-(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
SMILES[H]N=S(N)(=O)c1cnn2c1OC(C)(C)C2C(=O)Nc1c2c(cc3c1C[C@H](F)C3)CCC2
InChIInChI=1S/C20H24FN5O3S/c1-20(2)17(26-19(29-20)15(9-24-26)30(22,23)28)18(27)25-16-13-5-3-4-10(13)6-11-7-12(21)8-14(11)16/h6,9,12,17H,3-5,7-8H2,1-2H3,(H,25,27)(H3,22,23,28)/t12-,17?/m1/s1
InChIKeyKSQTVRPIRXKQJI-MTATWXBHSA-N
XLogP2.44
TPSA123.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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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]-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole-3-carboxamide?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [H]N=S(N)(=O)c1cnn2c1OC(C)(C)C2C(=O)Nc1c2c(cc3c1C[C@H](F)C3)CCC2.
What is the InChIKey of 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?
The InChIKey is KSQTVRPIRXKQJI-MTATWXBHSA-N. The full InChI is InChI=1S/C20H24FN5O3S/c1-20(2)17(26-19(29-20)15(9-24-26)30(22,23)28)18(27)25-16-13-5-3-4-10(13)6-11-7-12(21)8-14(11)16/h6,9,12,17H,3-5,7-8H2,1-2H3,(H,25,27)(H3,22,23,28)/t12-,17?/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]-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole-3-carboxamide?
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 has a molecular weight of 433.51 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 6 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]-2,2-dimethyl-3H-pyrazolo[5,1-b][1,3]oxazole-3-carboxamide is sourced from PubChem (CID 168751166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).