acetic acid;3,3-difluoro-8-[4-fluoro-3-(5-methoxy-3-pyridinyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine

C25H23F3N6O3 — CID 24871749

About acetic acid;3,3-difluoro-8-[4-fluoro-3-(5-methoxy-3-pyridinyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine

acetic acid;3,3-difluoro-8-[4-fluoro-3-(5-methoxy-3-pyridinyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine (PubChem CID 24871749) has the molecular formula C25H23F3N6O3 and a molecular weight of 512.49 g/mol. Its IUPAC name is acetic acid;3,3-difluoro-8-[4-fluoro-3-(5-methoxy-3-pyridinyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine.

Molecular Properties

• Compound Name: acetic acid;3,3-difluoro-8-[4-fluoro-3-(5-methoxy-3-pyridinyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
• PubChem CID: 24871749
• Molecular Formula: C25H23F3N6O3
• Molecular Weight: 512.49 g/mol
• Exact Mass: 512.18
• IUPAC Name: acetic acid;3,3-difluoro-8-[4-fluoro-3-(5-methoxy-3-pyridinyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
• SMILES: CC(=O)O.COc1cncc(-c2cc(C3(c4ccncc4)N=C(N)N4CC(F)(F)CN=C43)ccc2F)c1
• InChI: InChI=1S/C23H19F3N6O.C2H4O2/c1-33-17-8-14(10-29-11-17)18-9-16(2-3-19(18)24)23(15-4-6-28-7-5-15)20-30-12-22(25,26)13-32(20)21(27)31-23;1-2(3)4/h2-11H,12-13H2,1H3,(H2,27,31);1H3,(H,3,4)
• InChIKey: RFRXGOLGRUGSPX-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 126.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.49
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of acetic acid;3,3-difluoro-8-[4-fluoro-3-(5-methoxy-3-pyridinyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?

The IUPAC name of acetic acid;3,3-difluoro-8-[4-fluoro-3-(5-methoxy-3-pyridinyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine (CID 24871749) is acetic acid;3,3-difluoro-8-[4-fluoro-3-(5-methoxy-3-pyridinyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine.

What is the SMILES notation for acetic acid;3,3-difluoro-8-[4-fluoro-3-(5-methoxy-3-pyridinyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?

The canonical SMILES for acetic acid;3,3-difluoro-8-[4-fluoro-3-(5-methoxy-3-pyridinyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine is CC(=O)O.COc1cncc(-c2cc(C3(c4ccncc4)N=C(N)N4CC(F)(F)CN=C43)ccc2F)c1.

What is the InChIKey of acetic acid;3,3-difluoro-8-[4-fluoro-3-(5-methoxy-3-pyridinyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?

The InChIKey is RFRXGOLGRUGSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O.C2H4O2/c1-33-17-8-14(10-29-11-17)18-9-16(2-3-19(18)24)23(15-4-6-28-7-5-15)20-30-12-22(25,26)13-32(20)21(27)31-23;1-2(3)4/h2-11H,12-13H2,1H3,(H2,27,31);1H3,(H,3,4).

What are the key properties of acetic acid;3,3-difluoro-8-[4-fluoro-3-(5-methoxy-3-pyridinyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?

acetic acid;3,3-difluoro-8-[4-fluoro-3-(5-methoxy-3-pyridinyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine has a molecular weight of 512.49 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;3,3-difluoro-8-[4-fluoro-3-(5-methoxy-3-pyridinyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 24871749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).