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

C24H20F3N5O — CID 57394835

IUPAC(8R)-3,3-difluoro-8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
SMILESCOc1cccc(-c2cccc([C@]3(c4ccncc4)N=C(N)N4CC(F)(F)CN=C43)c2)c1F
InChIInChI=1S/C24H20F3N5O/c1-33-19-7-3-6-18(20(19)25)15-4-2-5-17(12-15)24(16-8-10-29-11-9-16)21-30-13-23(26,27)14-32(21)22(28)31-24/h2-12H,13-14H2,1H3,(H2,28,31)/t24-/m0/s1
InChIKeyRECVUKARQVUVBY-DEOSSOPVSA-N
MW451.45 g/mol
LogP3.82
Rot. Bonds4

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

(8R)-3,3-difluoro-8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine (PubChem CID 57394835) has the molecular formula C24H20F3N5O and a molecular weight of 451.45 g/mol. Its IUPAC name is (8R)-3,3-difluoro-8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name(8R)-3,3-difluoro-8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
PubChem CID57394835
Molecular FormulaC24H20F3N5O
Molecular Weight451.45 g/mol
Exact Mass451.16
IUPAC Name(8R)-3,3-difluoro-8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine
SMILESCOc1cccc(-c2cccc([C@]3(c4ccncc4)N=C(N)N4CC(F)(F)CN=C43)c2)c1F
InChIInChI=1S/C24H20F3N5O/c1-33-19-7-3-6-18(20(19)25)15-4-2-5-17(12-15)24(16-8-10-29-11-9-16)21-30-13-23(26,27)14-32(21)22(28)31-24/h2-12H,13-14H2,1H3,(H2,28,31)/t24-/m0/s1
InChIKeyRECVUKARQVUVBY-DEOSSOPVSA-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

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Frequently Asked Questions

What is the IUPAC name of (8R)-3,3-difluoro-8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?
The IUPAC name of (8R)-3,3-difluoro-8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine (CID 57394835) is (8R)-3,3-difluoro-8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for (8R)-3,3-difluoro-8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for (8R)-3,3-difluoro-8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine is COc1cccc(-c2cccc([C@]3(c4ccncc4)N=C(N)N4CC(F)(F)CN=C43)c2)c1F.
What is the InChIKey of (8R)-3,3-difluoro-8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?
The InChIKey is RECVUKARQVUVBY-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H20F3N5O/c1-33-19-7-3-6-18(20(19)25)15-4-2-5-17(12-15)24(16-8-10-29-11-9-16)21-30-13-23(26,27)14-32(21)22(28)31-24/h2-12H,13-14H2,1H3,(H2,28,31)/t24-/m0/s1.
What are the key properties of (8R)-3,3-difluoro-8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine?
(8R)-3,3-difluoro-8-[3-(2-fluoro-3-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 (8R)-3,3-difluoro-8-[3-(2-fluoro-3-methoxyphenyl)phenyl]-8-pyridin-4-yl-2,4-dihydroimidazo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 57394835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).