(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

C25H22F3N5O — CID 137348074

IUPAC(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
SMILESCOc1ccc([C@]2(c3ccc(F)c(-c4cccnc4)c3)N=C(N)N3CC(F)(F)CN=C32)cc1C
InChIInChI=1S/C25H22F3N5O/c1-15-10-17(6-8-21(15)34-2)25(22-31-13-24(27,28)14-33(22)23(29)32-25)18-5-7-20(26)19(11-18)16-4-3-9-30-12-16/h3-12H,13-14H2,1-2H3,(H2,29,32)/t25-/m1/s1
InChIKeyYGQLOGGNUHAJMB-RUZDIDTESA-N
MW465.48 g/mol
LogP4.13
Rot. Bonds4

About (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

(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 (PubChem CID 137348074) has the molecular formula C25H22F3N5O and a molecular weight of 465.48 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID137348074
Molecular FormulaC25H22F3N5O
Molecular Weight465.48 g/mol
Exact Mass465.18
IUPAC Name(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
SMILESCOc1ccc([C@]2(c3ccc(F)c(-c4cccnc4)c3)N=C(N)N3CC(F)(F)CN=C32)cc1C
InChIInChI=1S/C25H22F3N5O/c1-15-10-17(6-8-21(15)34-2)25(22-31-13-24(27,28)14-33(22)23(29)32-25)18-5-7-20(26)19(11-18)16-4-3-9-30-12-16/h3-12H,13-14H2,1-2H3,(H2,29,32)/t25-/m1/s1
InChIKeyYGQLOGGNUHAJMB-RUZDIDTESA-N
XLogP4.13
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.48
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Related Compounds

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-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
CID 24873271
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;3,3-difluoro-8-(4-methoxyphenyl)-8-[3-(5-methoxy-3-pyridinyl)phenyl]-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
CID 24873270
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
[3-[2-amino-4-(4-fluoro-3-pyridin-3-ylphenyl)-1-methyl-5-oxoimidazol-4-yl]phenyl] methanesulfonate
CID 24991739
(5R)-2-amino-5-(4-methoxy-3-methylphenyl)-3-methyl-5-(3-pyrimidin-5-ylphenyl)imidazol-4-one
CID 11682506
3-(5-fluoro-2-methoxy-4-methylphenyl)pyridine
CID 158694980
8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
CID 24989869
(8S)-8-[3-(4-fluoro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
CID 59837908
CID 161228017
CID 161228017
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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is COc1ccc([C@]2(c3ccc(F)c(-c4cccnc4)c3)N=C(N)N3CC(F)(F)CN=C32)cc1C.
What is the InChIKey of (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?
The InChIKey is YGQLOGGNUHAJMB-RUZDIDTESA-N. The full InChI is InChI=1S/C25H22F3N5O/c1-15-10-17(6-8-21(15)34-2)25(22-31-13-24(27,28)14-33(22)23(29)32-25)18-5-7-20(26)19(11-18)16-4-3-9-30-12-16/h3-12H,13-14H2,1-2H3,(H2,29,32)/t25-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 465.48 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 137348074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).