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

C27H27FN6O — CID 162001826

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

4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(3-methylidene-1,2-dihydroisoindol-5-yl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine (PubChem CID 162001826) has the molecular formula C27H27FN6O and a molecular weight of 470.55 g/mol. Its IUPAC name is 4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(3-methylidene-1,2-dihydroisoindol-5-yl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine.

Molecular Properties

• Compound Name: 4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(3-methylidene-1,2-dihydroisoindol-5-yl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine
• PubChem CID: 162001826
• Molecular Formula: C27H27FN6O
• Molecular Weight: 470.55 g/mol
• Exact Mass: 470.22
• IUPAC Name: 4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(3-methylidene-1,2-dihydroisoindol-5-yl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine
• SMILES: C=C1NCc2ccc(Oc3nc4c(c(N5C[C@H](N)C6(CC6)C5)n3)-c3cc(F)cc(NC)c3C4)cc21
• InChI: InChI=1S/C27H27FN6O/c1-14-18-9-17(4-3-15(18)11-31-14)35-26-32-22-10-19-20(7-16(28)8-21(19)30-2)24(22)25(33-26)34-12-23(29)27(13-34)5-6-27/h3-4,7-9,23,30-31H,1,5-6,10-13,29H2,2H3/t23-/m0/s1
• InChIKey: LSZORZGRNFBDLA-QHCPKHFHSA-N
• XLogP: 4.02
• TPSA: 88.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.55
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(3-methylidene-1,2-dihydroisoindol-5-yl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine (CID 162001826) is 4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(3-methylidene-1,2-dihydroisoindol-5-yl)oxy]-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]-6-fluoro-N-methyl-2-[(3-methylidene-1,2-dihydroisoindol-5-yl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine?

The canonical SMILES for 4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(3-methylidene-1,2-dihydroisoindol-5-yl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine is C=C1NCc2ccc(Oc3nc4c(c(N5C[C@H](N)C6(CC6)C5)n3)-c3cc(F)cc(NC)c3C4)cc21.

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

The InChIKey is LSZORZGRNFBDLA-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H27FN6O/c1-14-18-9-17(4-3-15(18)11-31-14)35-26-32-22-10-19-20(7-16(28)8-21(19)30-2)24(22)25(33-26)34-12-23(29)27(13-34)5-6-27/h3-4,7-9,23,30-31H,1,5-6,10-13,29H2,2H3/t23-/m0/s1.

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

4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(3-methylidene-1,2-dihydroisoindol-5-yl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine has a molecular weight of 470.55 g/mol, XLogP of 4.02, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(7R)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-N-methyl-2-[(3-methylidene-1,2-dihydroisoindol-5-yl)oxy]-9H-indeno[2,1-d]pyrimidin-8-amine is sourced from PubChem (CID 162001826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).