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

C24H25FN6O — CID 158500751

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

4-(2-amino-5-azaspiro[2.4]heptan-5-yl)-6-fluoro-N-methyl-2-[(5-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine (PubChem CID 158500751) has the molecular formula C24H25FN6O and a molecular weight of 432.50 g/mol. Its IUPAC name is 4-(2-amino-5-azaspiro[2.4]heptan-5-yl)-6-fluoro-N-methyl-2-[(5-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine.

Molecular Properties

• Compound Name: 4-(2-amino-5-azaspiro[2.4]heptan-5-yl)-6-fluoro-N-methyl-2-[(5-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine
• PubChem CID: 158500751
• Molecular Formula: C24H25FN6O
• Molecular Weight: 432.50 g/mol
• Exact Mass: 432.21
• IUPAC Name: 4-(2-amino-5-azaspiro[2.4]heptan-5-yl)-6-fluoro-N-methyl-2-[(5-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine
• SMILES: CNc1cc(F)cc2c1Cc1nc(Oc3cncc(C)c3)nc(N3CCC4(CC4N)C3)c1-2
• InChI: InChI=1S/C24H25FN6O/c1-13-5-15(11-28-10-13)32-23-29-19-8-16-17(6-14(25)7-18(16)27-2)21(19)22(30-23)31-4-3-24(12-31)9-20(24)26/h5-7,10-11,20,27H,3-4,8-9,12,26H2,1-2H3
• InChIKey: AHHAFMJNPNQQBP-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 89.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.50
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-(2-amino-5-azaspiro[2.4]heptan-5-yl)-6-fluoro-N-methyl-2-[(5-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine (CID 158500751) is 4-(2-amino-5-azaspiro[2.4]heptan-5-yl)-6-fluoro-N-methyl-2-[(5-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine.

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

The canonical SMILES for 4-(2-amino-5-azaspiro[2.4]heptan-5-yl)-6-fluoro-N-methyl-2-[(5-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine is CNc1cc(F)cc2c1Cc1nc(Oc3cncc(C)c3)nc(N3CCC4(CC4N)C3)c1-2.

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

The InChIKey is AHHAFMJNPNQQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN6O/c1-13-5-15(11-28-10-13)32-23-29-19-8-16-17(6-14(25)7-18(16)27-2)21(19)22(30-23)31-4-3-24(12-31)9-20(24)26/h5-7,10-11,20,27H,3-4,8-9,12,26H2,1-2H3.

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

4-(2-amino-5-azaspiro[2.4]heptan-5-yl)-6-fluoro-N-methyl-2-[(5-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine has a molecular weight of 432.50 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-amino-5-azaspiro[2.4]heptan-5-yl)-6-fluoro-N-methyl-2-[(5-methyl-3-pyridinyl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine is sourced from PubChem (CID 158500751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).