N-methyl-4-[[(5S,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5S,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide

C96H104F12N20O4S4 — CID 165065207

About N-methyl-4-[[(5S,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5S,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide

N-methyl-4-[[(5S,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5S,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide (PubChem CID 165065207) has the molecular formula C96H104F12N20O4S4 and a molecular weight of 1958.27 g/mol. Its IUPAC name is N-methyl-4-[[(5S,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5S,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide.

Molecular Properties

• Compound Name: N-methyl-4-[[(5S,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5S,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide
• PubChem CID: 165065207
• Molecular Formula: C96H104F12N20O4S4
• Molecular Weight: 1958.27 g/mol
• Exact Mass: 1956.72
• IUPAC Name: N-methyl-4-[[(5S,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5S,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide
• SMILES: CNC(=O)c1ccc(N[C@@H]2CC[C@@]3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)C3)C2)cc1.CNC(=O)c1ccc(N[C@@H]2CC[C@]3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)C3)C2)cc1.CNC(=O)c1ccc(N[C@H]2CC[C@@]3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)C3)C2)cc1.CNC(=O)c1ccc(N[C@H]2CC[C@]3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)C3)C2)cc1
• InChI: InChI=1S/4C24H26F3N5OS/c4*1-28-21(33)15-2-4-16(5-3-15)31-17-6-7-23(11-17)8-9-32(13-23)20-19-10-18(12-24(25,26)27)34-22(19)30-14-29-20/h4*2-5,10,14,17,31H,6-9,11-13H2,1H3,(H,28,33)/t2*17-,23+;2*17-,23-/m1010/s1
• InChIKey: RVQZWMDQWRZCRR-GSFOMMRDSA-N
• XLogP: 20.07
• TPSA: 280.60 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 20
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1958.27
LogP ≤ 5	20.07
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[(5S,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5S,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide?

The IUPAC name of N-methyl-4-[[(5S,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5S,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide (CID 165065207) is N-methyl-4-[[(5S,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5S,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide.

What is the SMILES notation for N-methyl-4-[[(5S,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5S,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide?

The canonical SMILES for N-methyl-4-[[(5S,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5S,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide is CNC(=O)c1ccc(N[C@@H]2CC[C@@]3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)C3)C2)cc1.CNC(=O)c1ccc(N[C@@H]2CC[C@]3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)C3)C2)cc1.CNC(=O)c1ccc(N[C@H]2CC[C@@]3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)C3)C2)cc1.CNC(=O)c1ccc(N[C@H]2CC[C@]3(CCN(c4ncnc5sc(CC(F)(F)F)cc45)C3)C2)cc1.

What is the InChIKey of N-methyl-4-[[(5S,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5S,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide?

The InChIKey is RVQZWMDQWRZCRR-GSFOMMRDSA-N. The full InChI is InChI=1S/4C24H26F3N5OS/c4*1-28-21(33)15-2-4-16(5-3-15)31-17-6-7-23(11-17)8-9-32(13-23)20-19-10-18(12-24(25,26)27)34-22(19)30-14-29-20/h4*2-5,10,14,17,31H,6-9,11-13H2,1H3,(H,28,33)/t2*17-,23+;2*17-,23-/m1010/s1.

What are the key properties of N-methyl-4-[[(5S,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5S,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide?

N-methyl-4-[[(5S,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5S,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide has a molecular weight of 1958.27 g/mol, XLogP of 20.07, 20 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-4-[[(5S,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5S,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide;N-methyl-4-[[(5R,8R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[4.4]nonan-8-yl]amino]benzamide is sourced from PubChem (CID 165065207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).