(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methylimidazol-4-one

C23H21FN4O2 — CID 11647091

IUPAC(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methylimidazol-4-one
SMILESCOc1ccc([C@@]2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cc1C
InChIInChI=1S/C23H21FN4O2/c1-14-12-17(9-10-19(14)30-3)23(21(29)28(2)22(25)27-23)16-7-4-6-15(13-16)18-8-5-11-26-20(18)24/h4-13H,1-3H3,(H2,25,27)/t23-/m1/s1
InChIKeyFZVZGKTWGPYMHW-HSZRJFAPSA-N
MW404.45 g/mol
LogP3.24
Rot. Bonds4

About (5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methylimidazol-4-one

(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methylimidazol-4-one (PubChem CID 11647091) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is (5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methylimidazol-4-one.

Molecular Properties

Compound Name(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methylimidazol-4-one
PubChem CID11647091
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methylimidazol-4-one
SMILESCOc1ccc([C@@]2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cc1C
InChIInChI=1S/C23H21FN4O2/c1-14-12-17(9-10-19(14)30-3)23(21(29)28(2)22(25)27-23)16-7-4-6-15(13-16)18-8-5-11-26-20(18)24/h4-13H,1-3H3,(H2,25,27)/t23-/m1/s1
InChIKeyFZVZGKTWGPYMHW-HSZRJFAPSA-N
XLogP3.24
TPSA80.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 11539562
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CID 56947421
CID 56947421
CID 56947698
CID 56947698
CID 56948072
CID 56948072
CID 53465113
CID 53465113
CID 90656183
CID 90656183
CID 57396607
CID 57396607
CID 90656184
CID 90656184
CID 44193304
CID 44193304
CID 76318242
CID 76318242
CID 11510567
CID 11510567
CID 11516577
CID 11516577

Frequently Asked Questions

What is the IUPAC name of (5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methylimidazol-4-one?
The IUPAC name of (5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methylimidazol-4-one (CID 11647091) is (5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methylimidazol-4-one.
What is the SMILES notation for (5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methylimidazol-4-one?
The canonical SMILES for (5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methylimidazol-4-one is COc1ccc([C@@]2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cc1C.
What is the InChIKey of (5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methylimidazol-4-one?
The InChIKey is FZVZGKTWGPYMHW-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-14-12-17(9-10-19(14)30-3)23(21(29)28(2)22(25)27-23)16-7-4-6-15(13-16)18-8-5-11-26-20(18)24/h4-13H,1-3H3,(H2,25,27)/t23-/m1/s1.
What are the key properties of (5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methylimidazol-4-one?
(5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methylimidazol-4-one has a molecular weight of 404.45 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-amino-5-[3-(2-fluoro-3-pyridinyl)phenyl]-5-(4-methoxy-3-methylphenyl)-3-methylimidazol-4-one is sourced from PubChem (CID 11647091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).