1-methyl-2-oxo-3H-indole-6-carbaldehyde;1-methyl-6-[[[(6S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]methyl]-3H-indol-2-one;1-methyl-6-[[[(6R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]methyl]-3H-indol-2-one;2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine

C75H78F9N15O4S3 — CID 165010440

About 1-methyl-2-oxo-3H-indole-6-carbaldehyde;1-methyl-6-[[[(6S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]methyl]-3H-indol-2-one;1-methyl-6-[[[(6R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]methyl]-3H-indol-2-one;2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine

1-methyl-2-oxo-3H-indole-6-carbaldehyde;1-methyl-6-[[[(6S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]methyl]-3H-indol-2-one;1-methyl-6-[[[(6R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]methyl]-3H-indol-2-one;2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine (PubChem CID 165010440) has the molecular formula C75H78F9N15O4S3 and a molecular weight of 1520.73 g/mol. Its IUPAC name is 1-methyl-2-oxo-3H-indole-6-carbaldehyde;1-methyl-6-[[[(6S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]methyl]-3H-indol-2-one;1-methyl-6-[[[(6R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]methyl]-3H-indol-2-one;2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine.

Molecular Properties

• Compound Name: 1-methyl-2-oxo-3H-indole-6-carbaldehyde;1-methyl-6-[[[(6S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]methyl]-3H-indol-2-one;1-methyl-6-[[[(6R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]methyl]-3H-indol-2-one;2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine
• PubChem CID: 165010440
• Molecular Formula: C75H78F9N15O4S3
• Molecular Weight: 1520.73 g/mol
• Exact Mass: 1519.54
• IUPAC Name: 1-methyl-2-oxo-3H-indole-6-carbaldehyde;1-methyl-6-[[[(6S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]methyl]-3H-indol-2-one;1-methyl-6-[[[(6R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]methyl]-3H-indol-2-one;2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine
• SMILES: CN1C(=O)Cc2ccc(C=O)cc21.CN1C(=O)Cc2ccc(CN[C@@H]3CCC4(C3)CN(c3ncnc5sc(CC(F)(F)F)cc35)C4)cc21.CN1C(=O)Cc2ccc(CN[C@H]3CCC4(C3)CN(c3ncnc5sc(CC(F)(F)F)cc35)C4)cc21.NC1CCC2(C1)CN(c1ncnc3sc(CC(F)(F)F)cc13)C2
• InChI: InChI=1S/2C25H26F3N5OS.C15H17F3N4S.C10H9NO2/c2*1-32-20-6-15(2-3-16(20)7-21(32)34)11-29-17-4-5-24(9-17)12-33(13-24)22-19-8-18(10-25(26,27)28)35-23(19)31-14-30-22;16-15(17,18)5-10-3-11-12(20-8-21-13(11)23-10)22-6-14(7-22)2-1-9(19)4-14;1-11-9-4-7(6-12)2-3-8(9)5-10(11)13/h2*2-3,6,8,14,17,29H,4-5,7,9-13H2,1H3;3,8-9H,1-2,4-7,19H2;2-4,6H,5H2,1H3/t2*17-;;/m10../s1
• InChIKey: JPUSTBHCJBZNRR-LEFSJLFRSA-N
• XLogP: 13.06
• TPSA: 215.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1520.73
LogP ≤ 5	13.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-oxo-3H-indole-6-carbaldehyde;1-methyl-6-[[[(6S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]methyl]-3H-indol-2-one;1-methyl-6-[[[(6R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]methyl]-3H-indol-2-one;2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine?

The IUPAC name of 1-methyl-2-oxo-3H-indole-6-carbaldehyde;1-methyl-6-[[[(6S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]methyl]-3H-indol-2-one;1-methyl-6-[[[(6R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]methyl]-3H-indol-2-one;2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine (CID 165010440) is 1-methyl-2-oxo-3H-indole-6-carbaldehyde;1-methyl-6-[[[(6S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]methyl]-3H-indol-2-one;1-methyl-6-[[[(6R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]methyl]-3H-indol-2-one;2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine.

What is the SMILES notation for 1-methyl-2-oxo-3H-indole-6-carbaldehyde;1-methyl-6-[[[(6S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]methyl]-3H-indol-2-one;1-methyl-6-[[[(6R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]methyl]-3H-indol-2-one;2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine?

The canonical SMILES for 1-methyl-2-oxo-3H-indole-6-carbaldehyde;1-methyl-6-[[[(6S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]methyl]-3H-indol-2-one;1-methyl-6-[[[(6R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]methyl]-3H-indol-2-one;2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine is CN1C(=O)Cc2ccc(C=O)cc21.CN1C(=O)Cc2ccc(CN[C@@H]3CCC4(C3)CN(c3ncnc5sc(CC(F)(F)F)cc35)C4)cc21.CN1C(=O)Cc2ccc(CN[C@H]3CCC4(C3)CN(c3ncnc5sc(CC(F)(F)F)cc35)C4)cc21.NC1CCC2(C1)CN(c1ncnc3sc(CC(F)(F)F)cc13)C2.

What is the InChIKey of 1-methyl-2-oxo-3H-indole-6-carbaldehyde;1-methyl-6-[[[(6S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]methyl]-3H-indol-2-one;1-methyl-6-[[[(6R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]methyl]-3H-indol-2-one;2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine?

The InChIKey is JPUSTBHCJBZNRR-LEFSJLFRSA-N. The full InChI is InChI=1S/2C25H26F3N5OS.C15H17F3N4S.C10H9NO2/c2*1-32-20-6-15(2-3-16(20)7-21(32)34)11-29-17-4-5-24(9-17)12-33(13-24)22-19-8-18(10-25(26,27)28)35-23(19)31-14-30-22;16-15(17,18)5-10-3-11-12(20-8-21-13(11)23-10)22-6-14(7-22)2-1-9(19)4-14;1-11-9-4-7(6-12)2-3-8(9)5-10(11)13/h2*2-3,6,8,14,17,29H,4-5,7,9-13H2,1H3;3,8-9H,1-2,4-7,19H2;2-4,6H,5H2,1H3/t2*17-;;/m10../s1.

What are the key properties of 1-methyl-2-oxo-3H-indole-6-carbaldehyde;1-methyl-6-[[[(6S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]methyl]-3H-indol-2-one;1-methyl-6-[[[(6R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]methyl]-3H-indol-2-one;2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine?

1-methyl-2-oxo-3H-indole-6-carbaldehyde;1-methyl-6-[[[(6S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]methyl]-3H-indol-2-one;1-methyl-6-[[[(6R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]methyl]-3H-indol-2-one;2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine has a molecular weight of 1520.73 g/mol, XLogP of 13.06, 13 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-2-oxo-3H-indole-6-carbaldehyde;1-methyl-6-[[[(6S)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]methyl]-3H-indol-2-one;1-methyl-6-[[[(6R)-2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-yl]amino]methyl]-3H-indol-2-one;2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2-azaspiro[3.4]octan-6-amine is sourced from PubChem (CID 165010440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).