2'-amino-6-(3,5-difluorophenyl)-3'-methyl-2-(oxan-3-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one

C23H23F2N3O3 — CID 58424049

IUPAC2'-amino-6-(3,5-difluorophenyl)-3'-methyl-2-(oxan-3-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one
SMILESCN1C(=O)C2(CC(C3CCCOC3)Oc3ccc(-c4cc(F)cc(F)c4)cc32)N=C1N
InChIInChI=1S/C23H23F2N3O3/c1-28-21(29)23(27-22(28)26)11-20(14-3-2-6-30-12-14)31-19-5-4-13(9-18(19)23)15-7-16(24)10-17(25)8-15/h4-5,7-10,14,20H,2-3,6,11-12H2,1H3,(H2,26,27)
InChIKeyPDZGTLWELPNURU-UHFFFAOYSA-N
MW427.45 g/mol
LogP3.19
Rot. Bonds2

About 2'-amino-6-(3,5-difluorophenyl)-3'-methyl-2-(oxan-3-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one

2'-amino-6-(3,5-difluorophenyl)-3'-methyl-2-(oxan-3-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one (PubChem CID 58424049) has the molecular formula C23H23F2N3O3 and a molecular weight of 427.45 g/mol. Its IUPAC name is 2'-amino-6-(3,5-difluorophenyl)-3'-methyl-2-(oxan-3-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one.

Molecular Properties

Compound Name2'-amino-6-(3,5-difluorophenyl)-3'-methyl-2-(oxan-3-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one
PubChem CID58424049
Molecular FormulaC23H23F2N3O3
Molecular Weight427.45 g/mol
Exact Mass427.17
IUPAC Name2'-amino-6-(3,5-difluorophenyl)-3'-methyl-2-(oxan-3-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one
SMILESCN1C(=O)C2(CC(C3CCCOC3)Oc3ccc(-c4cc(F)cc(F)c4)cc32)N=C1N
InChIInChI=1S/C23H23F2N3O3/c1-28-21(29)23(27-22(28)26)11-20(14-3-2-6-30-12-14)31-19-5-4-13(9-18(19)23)15-7-16(24)10-17(25)8-15/h4-5,7-10,14,20H,2-3,6,11-12H2,1H3,(H2,26,27)
InChIKeyPDZGTLWELPNURU-UHFFFAOYSA-N
XLogP3.19
TPSA77.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2'-amino-6-(3,5-difluorophenyl)-3'-methyl-2-(oxan-3-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one?
The IUPAC name of 2'-amino-6-(3,5-difluorophenyl)-3'-methyl-2-(oxan-3-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one (CID 58424049) is 2'-amino-6-(3,5-difluorophenyl)-3'-methyl-2-(oxan-3-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one.
What is the SMILES notation for 2'-amino-6-(3,5-difluorophenyl)-3'-methyl-2-(oxan-3-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one?
The canonical SMILES for 2'-amino-6-(3,5-difluorophenyl)-3'-methyl-2-(oxan-3-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one is CN1C(=O)C2(CC(C3CCCOC3)Oc3ccc(-c4cc(F)cc(F)c4)cc32)N=C1N.
What is the InChIKey of 2'-amino-6-(3,5-difluorophenyl)-3'-methyl-2-(oxan-3-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one?
The InChIKey is PDZGTLWELPNURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F2N3O3/c1-28-21(29)23(27-22(28)26)11-20(14-3-2-6-30-12-14)31-19-5-4-13(9-18(19)23)15-7-16(24)10-17(25)8-15/h4-5,7-10,14,20H,2-3,6,11-12H2,1H3,(H2,26,27).
What are the key properties of 2'-amino-6-(3,5-difluorophenyl)-3'-methyl-2-(oxan-3-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one?
2'-amino-6-(3,5-difluorophenyl)-3'-methyl-2-(oxan-3-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one has a molecular weight of 427.45 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-6-(3,5-difluorophenyl)-3'-methyl-2-(oxan-3-yl)spiro[2,3-dihydrochromene-4,5'-imidazole]-4'-one is sourced from PubChem (CID 58424049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).