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

C24H26N6O — CID 162019129

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

4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine (PubChem CID 162019129) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is 4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine.

Molecular Properties

• Compound Name: 4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine
• PubChem CID: 162019129
• Molecular Formula: C24H26N6O
• Molecular Weight: 414.51 g/mol
• Exact Mass: 414.22
• IUPAC Name: 4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine
• SMILES: CNc1cccc2c1Cc1nc(Oc3ccc(C)nc3)nc(N3C[C@@H](N)C4(CC4)C3)c1-2
• InChI: InChI=1S/C24H26N6O/c1-14-6-7-15(11-27-14)31-23-28-19-10-17-16(4-3-5-18(17)26-2)21(19)22(29-23)30-12-20(25)24(13-30)8-9-24/h3-7,11,20,26H,8-10,12-13,25H2,1-2H3/t20-/m1/s1
• InChIKey: ZRGMGLYTWASRCD-HXUWFJFHSA-N
• XLogP: 3.51
• TPSA: 89.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.51
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine (CID 162019129) is 4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine.

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

The canonical SMILES for 4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine is CNc1cccc2c1Cc1nc(Oc3ccc(C)nc3)nc(N3C[C@@H](N)C4(CC4)C3)c1-2.

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

The InChIKey is ZRGMGLYTWASRCD-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H26N6O/c1-14-6-7-15(11-27-14)31-23-28-19-10-17-16(4-3-5-18(17)26-2)21(19)22(29-23)30-12-20(25)24(13-30)8-9-24/h3-7,11,20,26H,8-10,12-13,25H2,1-2H3/t20-/m1/s1.

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

4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine has a molecular weight of 414.51 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-N-methyl-2-[(6-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine is sourced from PubChem (CID 162019129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).