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

C24H22FN5O — CID 11633041

IUPAC8-[3-(2-fluoro-3-pyridinyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESCOc1ccc(C2(c3cccc(-c4cccnc4F)c3)N=C(N)N3CCCN=C32)cc1
InChIInChI=1S/C24H22FN5O/c1-31-19-10-8-17(9-11-19)24(22-28-13-4-14-30(22)23(26)29-24)18-6-2-5-16(15-18)20-7-3-12-27-21(20)25/h2-3,5-12,15H,4,13-14H2,1H3,(H2,26,29)
InChIKeyPIONCLLNBJJWDA-UHFFFAOYSA-N
MW415.47 g/mol
LogP3.57
Rot. Bonds4

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

8-[3-(2-fluoro-3-pyridinyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (PubChem CID 11633041) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is 8-[3-(2-fluoro-3-pyridinyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.

Molecular Properties

Compound Name8-[3-(2-fluoro-3-pyridinyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
PubChem CID11633041
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name8-[3-(2-fluoro-3-pyridinyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine
SMILESCOc1ccc(C2(c3cccc(-c4cccnc4F)c3)N=C(N)N3CCCN=C32)cc1
InChIInChI=1S/C24H22FN5O/c1-31-19-10-8-17(9-11-19)24(22-28-13-4-14-30(22)23(26)29-24)18-6-2-5-16(15-18)20-7-3-12-27-21(20)25/h2-3,5-12,15H,4,13-14H2,1H3,(H2,26,29)
InChIKeyPIONCLLNBJJWDA-UHFFFAOYSA-N
XLogP3.57
TPSA76.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 53.57
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 8-[3-(2-fluoro-3-pyridinyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The IUPAC name of 8-[3-(2-fluoro-3-pyridinyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine (CID 11633041) is 8-[3-(2-fluoro-3-pyridinyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine.
What is the SMILES notation for 8-[3-(2-fluoro-3-pyridinyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The canonical SMILES for 8-[3-(2-fluoro-3-pyridinyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is COc1ccc(C2(c3cccc(-c4cccnc4F)c3)N=C(N)N3CCCN=C32)cc1.
What is the InChIKey of 8-[3-(2-fluoro-3-pyridinyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
The InChIKey is PIONCLLNBJJWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c1-31-19-10-8-17(9-11-19)24(22-28-13-4-14-30(22)23(26)29-24)18-6-2-5-16(15-18)20-7-3-12-27-21(20)25/h2-3,5-12,15H,4,13-14H2,1H3,(H2,26,29).
What are the key properties of 8-[3-(2-fluoro-3-pyridinyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine?
8-[3-(2-fluoro-3-pyridinyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine has a molecular weight of 415.47 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-(2-fluoro-3-pyridinyl)phenyl]-8-(4-methoxyphenyl)-3,4-dihydro-2H-imidazo[1,5-a]pyrimidin-6-amine is sourced from PubChem (CID 11633041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).