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

C27H27F2N5O4 — CID 24873270

IUPACacetic acid;3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
SMILESCC(=O)O.COc1ccc(C2(c3cccc(-c4cncc(OC)c4)c3)N=C(N)N3CC(F)(F)CN=C32)cc1
InChIInChI=1S/C25H23F2N5O2.C2H4O2/c1-33-20-8-6-18(7-9-20)25(22-30-14-24(26,27)15-32(22)23(28)31-25)19-5-3-4-16(10-19)17-11-21(34-2)13-29-12-17;1-2(3)4/h3-13H,14-15H2,1-2H3,(H2,28,31);1H3,(H,3,4)
InChIKeySJOWVBCFZHDMMX-UHFFFAOYSA-N
MW523.54 g/mol
LogP3.78
Rot. Bonds5

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

acetic acid;3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine (PubChem CID 24873270) has the molecular formula C27H27F2N5O4 and a molecular weight of 523.54 g/mol. Its IUPAC name is acetic acid;3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Nameacetic acid;3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
PubChem CID24873270
Molecular FormulaC27H27F2N5O4
Molecular Weight523.54 g/mol
Exact Mass523.20
IUPAC Nameacetic acid;3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
SMILESCC(=O)O.COc1ccc(C2(c3cccc(-c4cncc(OC)c4)c3)N=C(N)N3CC(F)(F)CN=C32)cc1
InChIInChI=1S/C25H23F2N5O2.C2H4O2/c1-33-20-8-6-18(7-9-20)25(22-30-14-24(26,27)15-32(22)23(28)31-25)19-5-3-4-16(10-19)17-11-21(34-2)13-29-12-17;1-2(3)4/h3-13H,14-15H2,1-2H3,(H2,28,31);1H3,(H,3,4)
InChIKeySJOWVBCFZHDMMX-UHFFFAOYSA-N
XLogP3.78
TPSA122.63 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.54
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
CID 24873271
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
3,3-difluoro-8-pyridin-4-yl-8-(3-pyrimidin-5-ylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
CID 24871744
acetic acid;[4-[6-amino-8-[3-(5-fluoro-3-pyridinyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] methanesulfonate
CID 24899105
(8R)-3,3-difluoro-8-(4-fluoro-3-pyridin-3-ylphenyl)-8-(4-methoxy-3-methylphenyl)-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
CID 137348074
3-[6-amino-3,3-difluoro-8-[3-(2-fluoro-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-8-yl]-N,N-dimethylbenzamide
CID 24871630
acetic acid;[4-[6-amino-8-(3-pyridin-3-ylphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] methanesulfonate
CID 24899353
6-amino-8-[3-(3,5-dichlorophenyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-3-ol
CID 24873151
acetic acid;[4-[6-amino-8-[3-(3-ethoxyphenyl)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-8-yl]phenyl] methanesulfonate
CID 24899610
[4-[2-amino-4-[3-(5-methoxy-3-pyridinyl)phenyl]-1-methyl-5-oxoimidazol-4-yl]phenyl] propane-1-sulfonate;hydrochloride
CID 87682247
2-amino-5-(4-methoxyphenyl)-3-methyl-5-(3-pyridin-3-ylphenyl)imidazol-4-one
CID 141128111
acetic acid;8-pyridin-4-yl-8-[3-[3-(trifluoromethyl)phenyl]phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
CID 24990256

Frequently Asked Questions

What is the IUPAC name of acetic acid;3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?
The IUPAC name of acetic acid;3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine (CID 24873270) is acetic acid;3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for acetic acid;3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for acetic acid;3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine is CC(=O)O.COc1ccc(C2(c3cccc(-c4cncc(OC)c4)c3)N=C(N)N3CC(F)(F)CN=C32)cc1.
What is the InChIKey of acetic acid;3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?
The InChIKey is SJOWVBCFZHDMMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N5O2.C2H4O2/c1-33-20-8-6-18(7-9-20)25(22-30-14-24(26,27)15-32(22)23(28)31-25)19-5-3-4-16(10-19)17-11-21(34-2)13-29-12-17;1-2(3)4/h3-13H,14-15H2,1-2H3,(H2,28,31);1H3,(H,3,4).
What are the key properties of acetic acid;3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?
acetic acid;3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine has a molecular weight of 523.54 g/mol, XLogP of 3.78, 5 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-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 24873270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).