[(3R,5R)-3,5-dimethylmorpholin-4-yl]-[5-fluoro-2-[4-[7-[[(2S,5R)-5-(2,2,2-trifluoroethylsulfamoylamino)oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxyphenyl]methanone

C32H43F4N7O6S — CID 166131272

About [(3R,5R)-3,5-dimethylmorpholin-4-yl]-[5-fluoro-2-[4-[7-[[(2S,5R)-5-(2,2,2-trifluoroethylsulfamoylamino)oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxyphenyl]methanone

[(3R,5R)-3,5-dimethylmorpholin-4-yl]-[5-fluoro-2-[4-[7-[[(2S,5R)-5-(2,2,2-trifluoroethylsulfamoylamino)oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxyphenyl]methanone (PubChem CID 166131272) has the molecular formula C32H43F4N7O6S and a molecular weight of 729.80 g/mol. Its IUPAC name is [(3R,5R)-3,5-dimethylmorpholin-4-yl]-[5-fluoro-2-[4-[7-[[(2S,5R)-5-(2,2,2-trifluoroethylsulfamoylamino)oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxyphenyl]methanone.

Molecular Properties

• Compound Name: [(3R,5R)-3,5-dimethylmorpholin-4-yl]-[5-fluoro-2-[4-[7-[[(2S,5R)-5-(2,2,2-trifluoroethylsulfamoylamino)oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxyphenyl]methanone
• PubChem CID: 166131272
• Molecular Formula: C32H43F4N7O6S
• Molecular Weight: 729.80 g/mol
• Exact Mass: 729.29
• IUPAC Name: [(3R,5R)-3,5-dimethylmorpholin-4-yl]-[5-fluoro-2-[4-[7-[[(2S,5R)-5-(2,2,2-trifluoroethylsulfamoylamino)oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxyphenyl]methanone
• SMILES: C[C@@H]1COC[C@@H](C)N1C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)NCC(F)(F)F)CO3)CC2)C1
• InChI: InChI=1S/C32H43F4N7O6S/c1-21-14-47-15-22(2)43(21)30(44)26-11-23(33)3-6-27(26)49-28-12-37-20-38-29(28)42-18-31(19-42)7-9-41(10-8-31)13-25-5-4-24(16-48-25)40-50(45,46)39-17-32(34,35)36/h3,6,11-12,20-22,24-25,39-40H,4-5,7-10,13-19H2,1-2H3/t21-,22-,24-,25+/m1/s1
• InChIKey: SLANMZSAFQMUJB-MFYODDQASA-N
• XLogP: 3.09
• TPSA: 138.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	729.80
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3,5-dimethylmorpholin-4-yl]-[5-fluoro-2-[4-[7-[[(2S,5R)-5-(2,2,2-trifluoroethylsulfamoylamino)oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxyphenyl]methanone?

The IUPAC name of [(3R,5R)-3,5-dimethylmorpholin-4-yl]-[5-fluoro-2-[4-[7-[[(2S,5R)-5-(2,2,2-trifluoroethylsulfamoylamino)oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxyphenyl]methanone (CID 166131272) is [(3R,5R)-3,5-dimethylmorpholin-4-yl]-[5-fluoro-2-[4-[7-[[(2S,5R)-5-(2,2,2-trifluoroethylsulfamoylamino)oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxyphenyl]methanone.

What is the SMILES notation for [(3R,5R)-3,5-dimethylmorpholin-4-yl]-[5-fluoro-2-[4-[7-[[(2S,5R)-5-(2,2,2-trifluoroethylsulfamoylamino)oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxyphenyl]methanone?

The canonical SMILES for [(3R,5R)-3,5-dimethylmorpholin-4-yl]-[5-fluoro-2-[4-[7-[[(2S,5R)-5-(2,2,2-trifluoroethylsulfamoylamino)oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxyphenyl]methanone is C[C@@H]1COC[C@@H](C)N1C(=O)c1cc(F)ccc1Oc1cncnc1N1CC2(CCN(C[C@@H]3CC[C@@H](NS(=O)(=O)NCC(F)(F)F)CO3)CC2)C1.

What is the InChIKey of [(3R,5R)-3,5-dimethylmorpholin-4-yl]-[5-fluoro-2-[4-[7-[[(2S,5R)-5-(2,2,2-trifluoroethylsulfamoylamino)oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxyphenyl]methanone?

The InChIKey is SLANMZSAFQMUJB-MFYODDQASA-N. The full InChI is InChI=1S/C32H43F4N7O6S/c1-21-14-47-15-22(2)43(21)30(44)26-11-23(33)3-6-27(26)49-28-12-37-20-38-29(28)42-18-31(19-42)7-9-41(10-8-31)13-25-5-4-24(16-48-25)40-50(45,46)39-17-32(34,35)36/h3,6,11-12,20-22,24-25,39-40H,4-5,7-10,13-19H2,1-2H3/t21-,22-,24-,25+/m1/s1.

What are the key properties of [(3R,5R)-3,5-dimethylmorpholin-4-yl]-[5-fluoro-2-[4-[7-[[(2S,5R)-5-(2,2,2-trifluoroethylsulfamoylamino)oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxyphenyl]methanone?

[(3R,5R)-3,5-dimethylmorpholin-4-yl]-[5-fluoro-2-[4-[7-[[(2S,5R)-5-(2,2,2-trifluoroethylsulfamoylamino)oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxyphenyl]methanone has a molecular weight of 729.80 g/mol, XLogP of 3.09, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,5R)-3,5-dimethylmorpholin-4-yl]-[5-fluoro-2-[4-[7-[[(2S,5R)-5-(2,2,2-trifluoroethylsulfamoylamino)oxan-2-yl]methyl]-2,7-diazaspiro[3.5]nonan-2-yl]pyrimidin-5-yl]oxyphenyl]methanone is sourced from PubChem (CID 166131272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).