2-amino-N-[(7S)-5-[6-fluoro-8-(methylamino)-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-yl]acetamide

C26H28FN7O2 — CID 159624025

About 2-amino-N-[(7S)-5-[6-fluoro-8-(methylamino)-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-yl]acetamide

2-amino-N-[(7S)-5-[6-fluoro-8-(methylamino)-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-yl]acetamide (PubChem CID 159624025) has the molecular formula C26H28FN7O2 and a molecular weight of 489.56 g/mol. Its IUPAC name is 2-amino-N-[(7S)-5-[6-fluoro-8-(methylamino)-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-yl]acetamide.

Molecular Properties

• Compound Name: 2-amino-N-[(7S)-5-[6-fluoro-8-(methylamino)-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-yl]acetamide
• PubChem CID: 159624025
• Molecular Formula: C26H28FN7O2
• Molecular Weight: 489.56 g/mol
• Exact Mass: 489.23
• IUPAC Name: 2-amino-N-[(7S)-5-[6-fluoro-8-(methylamino)-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-yl]acetamide
• SMILES: CNc1cc(F)cc2c1Cc1nc(Oc3ccc(C)nc3)nc(N3C[C@@H](NC(=O)CN)C4(CC4)C3)c1-2
• InChI: InChI=1S/C26H28FN7O2/c1-14-3-4-16(11-30-14)36-25-31-20-9-17-18(7-15(27)8-19(17)29-2)23(20)24(33-25)34-12-21(32-22(35)10-28)26(13-34)5-6-26/h3-4,7-8,11,21,29H,5-6,9-10,12-13,28H2,1-2H3,(H,32,35)/t21-/m1/s1
• InChIKey: NRRVPMGNUSOFAI-OAQYLSRUSA-N
• XLogP: 2.77
• TPSA: 118.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.56
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(7S)-5-[6-fluoro-8-(methylamino)-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-yl]acetamide?

The IUPAC name of 2-amino-N-[(7S)-5-[6-fluoro-8-(methylamino)-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-yl]acetamide (CID 159624025) is 2-amino-N-[(7S)-5-[6-fluoro-8-(methylamino)-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-yl]acetamide.

What is the SMILES notation for 2-amino-N-[(7S)-5-[6-fluoro-8-(methylamino)-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-yl]acetamide?

The canonical SMILES for 2-amino-N-[(7S)-5-[6-fluoro-8-(methylamino)-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-yl]acetamide is CNc1cc(F)cc2c1Cc1nc(Oc3ccc(C)nc3)nc(N3C[C@@H](NC(=O)CN)C4(CC4)C3)c1-2.

What is the InChIKey of 2-amino-N-[(7S)-5-[6-fluoro-8-(methylamino)-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-yl]acetamide?

The InChIKey is NRRVPMGNUSOFAI-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H28FN7O2/c1-14-3-4-16(11-30-14)36-25-31-20-9-17-18(7-15(27)8-19(17)29-2)23(20)24(33-25)34-12-21(32-22(35)10-28)26(13-34)5-6-26/h3-4,7-8,11,21,29H,5-6,9-10,12-13,28H2,1-2H3,(H,32,35)/t21-/m1/s1.

What are the key properties of 2-amino-N-[(7S)-5-[6-fluoro-8-(methylamino)-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-yl]acetamide?

2-amino-N-[(7S)-5-[6-fluoro-8-(methylamino)-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-yl]acetamide has a molecular weight of 489.56 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[(7S)-5-[6-fluoro-8-(methylamino)-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-4-yl]-5-azaspiro[2.4]heptan-7-yl]acetamide is sourced from PubChem (CID 159624025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).