(8S)-8-[3-(2-fluoro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine

C24H19F4N5O — CID 11655737

IUPAC(8S)-8-[3-(2-fluoro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESNC1=N[C@@](c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)C2=NCCCN12
InChIInChI=1S/C24H19F4N5O/c25-20-19(6-2-11-30-20)15-4-1-5-17(14-15)23(21-31-12-3-13-33(21)22(29)32-23)16-7-9-18(10-8-16)34-24(26,27)28/h1-2,4-11,14H,3,12-13H2,(H2,29,32)/t23-/m0/s1
InChIKeyOPSMDCTXTURNQW-QHCPKHFHSA-N
MW469.44 g/mol
LogP4.46
Rot. Bonds4

About (8S)-8-[3-(2-fluoro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine

(8S)-8-[3-(2-fluoro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (PubChem CID 11655737) has the molecular formula C24H19F4N5O and a molecular weight of 469.44 g/mol. Its IUPAC name is (8S)-8-[3-(2-fluoro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name(8S)-8-[3-(2-fluoro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
PubChem CID11655737
Molecular FormulaC24H19F4N5O
Molecular Weight469.44 g/mol
Exact Mass469.15
IUPAC Name(8S)-8-[3-(2-fluoro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESNC1=N[C@@](c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)C2=NCCCN12
InChIInChI=1S/C24H19F4N5O/c25-20-19(6-2-11-30-20)15-4-1-5-17(14-15)23(21-31-12-3-13-33(21)22(29)32-23)16-7-9-18(10-8-16)34-24(26,27)28/h1-2,4-11,14H,3,12-13H2,(H2,29,32)/t23-/m0/s1
InChIKeyOPSMDCTXTURNQW-QHCPKHFHSA-N
XLogP4.46
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8S)-8-[3-(2-fluoro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The IUPAC name of (8S)-8-[3-(2-fluoro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (CID 11655737) is (8S)-8-[3-(2-fluoro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for (8S)-8-[3-(2-fluoro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for (8S)-8-[3-(2-fluoro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is NC1=N[C@@](c2ccc(OC(F)(F)F)cc2)(c2cccc(-c3cccnc3F)c2)C2=NCCCN12.
What is the InChIKey of (8S)-8-[3-(2-fluoro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The InChIKey is OPSMDCTXTURNQW-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H19F4N5O/c25-20-19(6-2-11-30-20)15-4-1-5-17(14-15)23(21-31-12-3-13-33(21)22(29)32-23)16-7-9-18(10-8-16)34-24(26,27)28/h1-2,4-11,14H,3,12-13H2,(H2,29,32)/t23-/m0/s1.
What are the key properties of (8S)-8-[3-(2-fluoro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
(8S)-8-[3-(2-fluoro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine has a molecular weight of 469.44 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-[3-(2-fluoro-3-pyridinyl)phenyl]-8-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 11655737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).