2-amino-8-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one

C25H23FN4O2 — CID 46888821

IUPAC2-amino-8-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccc(F)cc2)c2c(n1)-c1cc(OCCN3C4CCC3CC4)ccc1C2=O
InChIInChI=1S/C25H23FN4O2/c26-15-3-1-14(2-4-15)22-21-23(29-25(27)28-22)20-13-18(9-10-19(20)24(21)31)32-12-11-30-16-5-6-17(30)8-7-16/h1-4,9-10,13,16-17H,5-8,11-12H2,(H2,27,28,29)
InChIKeyWBLMHURFHUCHAL-UHFFFAOYSA-N
MW430.48 g/mol
LogP4.08
Rot. Bonds5

About 2-amino-8-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one

2-amino-8-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one (PubChem CID 46888821) has the molecular formula C25H23FN4O2 and a molecular weight of 430.48 g/mol. Its IUPAC name is 2-amino-8-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-amino-8-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one
PubChem CID46888821
Molecular FormulaC25H23FN4O2
Molecular Weight430.48 g/mol
Exact Mass430.18
IUPAC Name2-amino-8-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one
SMILESNc1nc(-c2ccc(F)cc2)c2c(n1)-c1cc(OCCN3C4CCC3CC4)ccc1C2=O
InChIInChI=1S/C25H23FN4O2/c26-15-3-1-14(2-4-15)22-21-23(29-25(27)28-22)20-13-18(9-10-19(20)24(21)31)32-12-11-30-16-5-6-17(30)8-7-16/h1-4,9-10,13,16-17H,5-8,11-12H2,(H2,27,28,29)
InChIKeyWBLMHURFHUCHAL-UHFFFAOYSA-N
XLogP4.08
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.48
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one?
The IUPAC name of 2-amino-8-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one (CID 46888821) is 2-amino-8-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one.
What is the SMILES notation for 2-amino-8-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one?
The canonical SMILES for 2-amino-8-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one is Nc1nc(-c2ccc(F)cc2)c2c(n1)-c1cc(OCCN3C4CCC3CC4)ccc1C2=O.
What is the InChIKey of 2-amino-8-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one?
The InChIKey is WBLMHURFHUCHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2/c26-15-3-1-14(2-4-15)22-21-23(29-25(27)28-22)20-13-18(9-10-19(20)24(21)31)32-12-11-30-16-5-6-17(30)8-7-16/h1-4,9-10,13,16-17H,5-8,11-12H2,(H2,27,28,29).
What are the key properties of 2-amino-8-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one?
2-amino-8-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one has a molecular weight of 430.48 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-[2-(7-azabicyclo[2.2.1]heptan-7-yl)ethoxy]-4-(4-fluorophenyl)indeno[1,2-d]pyrimidin-5-one is sourced from PubChem (CID 46888821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).