2'-amino-6-(2-fluoro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one

C20H21FN4O — CID 53494692

IUPAC2'-amino-6-(2-fluoro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one
SMILESCN1C(=O)C2(CC(C)(C)Cc3ccc(-c4cccnc4F)cc32)N=C1N
InChIInChI=1S/C20H21FN4O/c1-19(2)10-13-7-6-12(14-5-4-8-23-16(14)21)9-15(13)20(11-19)17(26)25(3)18(22)24-20/h4-9H,10-11H2,1-3H3,(H2,22,24)
InChIKeyQOSNPHUJYRNMGO-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.84
Rot. Bonds1

About 2'-amino-6-(2-fluoro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one

2'-amino-6-(2-fluoro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one (PubChem CID 53494692) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 2'-amino-6-(2-fluoro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one.

Molecular Properties

Compound Name2'-amino-6-(2-fluoro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one
PubChem CID53494692
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name2'-amino-6-(2-fluoro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one
SMILESCN1C(=O)C2(CC(C)(C)Cc3ccc(-c4cccnc4F)cc32)N=C1N
InChIInChI=1S/C20H21FN4O/c1-19(2)10-13-7-6-12(14-5-4-8-23-16(14)21)9-15(13)20(11-19)17(26)25(3)18(22)24-20/h4-9H,10-11H2,1-3H3,(H2,22,24)
InChIKeyQOSNPHUJYRNMGO-UHFFFAOYSA-N
XLogP2.84
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2'-amino-6-(2-fluoro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one?
The IUPAC name of 2'-amino-6-(2-fluoro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one (CID 53494692) is 2'-amino-6-(2-fluoro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one.
What is the SMILES notation for 2'-amino-6-(2-fluoro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one?
The canonical SMILES for 2'-amino-6-(2-fluoro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one is CN1C(=O)C2(CC(C)(C)Cc3ccc(-c4cccnc4F)cc32)N=C1N.
What is the InChIKey of 2'-amino-6-(2-fluoro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one?
The InChIKey is QOSNPHUJYRNMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-19(2)10-13-7-6-12(14-5-4-8-23-16(14)21)9-15(13)20(11-19)17(26)25(3)18(22)24-20/h4-9H,10-11H2,1-3H3,(H2,22,24).
What are the key properties of 2'-amino-6-(2-fluoro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one?
2'-amino-6-(2-fluoro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one has a molecular weight of 352.41 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-6-(2-fluoro-3-pyridinyl)-2,2,3'-trimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one is sourced from PubChem (CID 53494692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).