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

C24H26FN7O — CID 158332232

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

4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-[[6-(aminomethyl)-3-pyridinyl]oxy]-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine (PubChem CID 158332232) has the molecular formula C24H26FN7O and a molecular weight of 447.52 g/mol. Its IUPAC name is 4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-[[6-(aminomethyl)-3-pyridinyl]oxy]-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine.

Molecular Properties

• Compound Name: 4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-[[6-(aminomethyl)-3-pyridinyl]oxy]-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
• PubChem CID: 158332232
• Molecular Formula: C24H26FN7O
• Molecular Weight: 447.52 g/mol
• Exact Mass: 447.22
• IUPAC Name: 4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-[[6-(aminomethyl)-3-pyridinyl]oxy]-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine
• SMILES: CNc1cc(F)cc2c1Cc1nc(Oc3ccc(CN)nc3)nc(N3C[C@H](N)C4(CC4)C3)c1-2
• InChI: InChI=1S/C24H26FN7O/c1-28-18-7-13(25)6-17-16(18)8-19-21(17)22(32-11-20(27)24(12-32)4-5-24)31-23(30-19)33-15-3-2-14(9-26)29-10-15/h2-3,6-7,10,20,28H,4-5,8-9,11-12,26-27H2,1H3/t20-/m0/s1
• InChIKey: KDKJTRRHSAXJBX-FQEVSTJZSA-N
• XLogP: 2.80
• TPSA: 115.21 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.52
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-[[6-(aminomethyl)-3-pyridinyl]oxy]-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine (CID 158332232) is 4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-[[6-(aminomethyl)-3-pyridinyl]oxy]-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine.

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

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

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

The InChIKey is KDKJTRRHSAXJBX-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H26FN7O/c1-28-18-7-13(25)6-17-16(18)8-19-21(17)22(32-11-20(27)24(12-32)4-5-24)31-23(30-19)33-15-3-2-14(9-26)29-10-15/h2-3,6-7,10,20,28H,4-5,8-9,11-12,26-27H2,1H3/t20-/m0/s1.

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

4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-[[6-(aminomethyl)-3-pyridinyl]oxy]-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine has a molecular weight of 447.52 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-2-[[6-(aminomethyl)-3-pyridinyl]oxy]-6-fluoro-N-methyl-9H-indeno[2,1-d]pyrimidin-8-amine is sourced from PubChem (CID 158332232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).