3,3-difluoro-8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine

C24H20F3N5O — CID 24873277

IUPAC3,3-difluoro-8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
SMILESCOc1ccc(F)c(-c2cccc(C3(c4ccncc4)N=C(N)N4CC(F)(F)CN=C43)c2)c1
InChIInChI=1S/C24H20F3N5O/c1-33-18-5-6-20(25)19(12-18)15-3-2-4-17(11-15)24(16-7-9-29-10-8-16)21-30-13-23(26,27)14-32(21)22(28)31-24/h2-12H,13-14H2,1H3,(H2,28,31)
InChIKeyWBBGIHPOPYLPCW-UHFFFAOYSA-N
MW451.45 g/mol
LogP3.82
Rot. Bonds4

About 3,3-difluoro-8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine

3,3-difluoro-8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine (PubChem CID 24873277) has the molecular formula C24H20F3N5O and a molecular weight of 451.45 g/mol. Its IUPAC name is 3,3-difluoro-8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name3,3-difluoro-8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
PubChem CID24873277
Molecular FormulaC24H20F3N5O
Molecular Weight451.45 g/mol
Exact Mass451.16
IUPAC Name3,3-difluoro-8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
SMILESCOc1ccc(F)c(-c2cccc(C3(c4ccncc4)N=C(N)N4CC(F)(F)CN=C43)c2)c1
InChIInChI=1S/C24H20F3N5O/c1-33-18-5-6-20(25)19(12-18)15-3-2-4-17(11-15)24(16-7-9-29-10-8-16)21-30-13-23(26,27)14-32(21)22(28)31-24/h2-12H,13-14H2,1H3,(H2,28,31)
InChIKeyWBBGIHPOPYLPCW-UHFFFAOYSA-N
XLogP3.82
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.45
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,3-difluoro-8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 3,3-difluoro-8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine (CID 24873277) is 3,3-difluoro-8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 3,3-difluoro-8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 3,3-difluoro-8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine is COc1ccc(F)c(-c2cccc(C3(c4ccncc4)N=C(N)N4CC(F)(F)CN=C43)c2)c1.
What is the InChIKey of 3,3-difluoro-8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?
The InChIKey is WBBGIHPOPYLPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O/c1-33-18-5-6-20(25)19(12-18)15-3-2-4-17(11-15)24(16-7-9-29-10-8-16)21-30-13-23(26,27)14-32(21)22(28)31-24/h2-12H,13-14H2,1H3,(H2,28,31).
What are the key properties of 3,3-difluoro-8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?
3,3-difluoro-8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine has a molecular weight of 451.45 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-8-[3-(2-fluoro-5-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 24873277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).