2'-amino-6-(3-chloro-5-fluorophenyl)-2-[(4-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one

C25H21ClF2N4O2 — CID 75989680

IUPAC2'-amino-6-(3-chloro-5-fluorophenyl)-2-[(4-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one
SMILESCN1C(=O)C2(CC(C)(Cc3ccc(F)cc3)Oc3cnc(-c4cc(F)cc(Cl)c4)cc32)N=C1N
InChIInChI=1S/C25H21ClF2N4O2/c1-24(11-14-3-5-17(27)6-4-14)13-25(22(33)32(2)23(29)31-25)19-10-20(30-12-21(19)34-24)15-7-16(26)9-18(28)8-15/h3-10,12H,11,13H2,1-2H3,(H2,29,31)
InChIKeyODFLXJWEWFDHQX-UHFFFAOYSA-N
MW482.92 g/mol
LogP4.45
Rot. Bonds3

About 2'-amino-6-(3-chloro-5-fluorophenyl)-2-[(4-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one

2'-amino-6-(3-chloro-5-fluorophenyl)-2-[(4-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one (PubChem CID 75989680) has the molecular formula C25H21ClF2N4O2 and a molecular weight of 482.92 g/mol. Its IUPAC name is 2'-amino-6-(3-chloro-5-fluorophenyl)-2-[(4-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one.

Molecular Properties

Compound Name2'-amino-6-(3-chloro-5-fluorophenyl)-2-[(4-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one
PubChem CID75989680
Molecular FormulaC25H21ClF2N4O2
Molecular Weight482.92 g/mol
Exact Mass482.13
IUPAC Name2'-amino-6-(3-chloro-5-fluorophenyl)-2-[(4-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one
SMILESCN1C(=O)C2(CC(C)(Cc3ccc(F)cc3)Oc3cnc(-c4cc(F)cc(Cl)c4)cc32)N=C1N
InChIInChI=1S/C25H21ClF2N4O2/c1-24(11-14-3-5-17(27)6-4-14)13-25(22(33)32(2)23(29)31-25)19-10-20(30-12-21(19)34-24)15-7-16(26)9-18(28)8-15/h3-10,12H,11,13H2,1-2H3,(H2,29,31)
InChIKeyODFLXJWEWFDHQX-UHFFFAOYSA-N
XLogP4.45
TPSA80.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.92
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2'-amino-6-(3-chloro-5-fluorophenyl)-2-[(4-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2'-amino-6-(3-chloro-5-fluorophenyl)-2-[(4-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one?
The IUPAC name of 2'-amino-6-(3-chloro-5-fluorophenyl)-2-[(4-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one (CID 75989680) is 2'-amino-6-(3-chloro-5-fluorophenyl)-2-[(4-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one.
What is the SMILES notation for 2'-amino-6-(3-chloro-5-fluorophenyl)-2-[(4-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one?
The canonical SMILES for 2'-amino-6-(3-chloro-5-fluorophenyl)-2-[(4-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one is CN1C(=O)C2(CC(C)(Cc3ccc(F)cc3)Oc3cnc(-c4cc(F)cc(Cl)c4)cc32)N=C1N.
What is the InChIKey of 2'-amino-6-(3-chloro-5-fluorophenyl)-2-[(4-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one?
The InChIKey is ODFLXJWEWFDHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF2N4O2/c1-24(11-14-3-5-17(27)6-4-14)13-25(22(33)32(2)23(29)31-25)19-10-20(30-12-21(19)34-24)15-7-16(26)9-18(28)8-15/h3-10,12H,11,13H2,1-2H3,(H2,29,31).
What are the key properties of 2'-amino-6-(3-chloro-5-fluorophenyl)-2-[(4-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one?
2'-amino-6-(3-chloro-5-fluorophenyl)-2-[(4-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one has a molecular weight of 482.92 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-6-(3-chloro-5-fluorophenyl)-2-[(4-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one is sourced from PubChem (CID 75989680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).