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

C25H22ClFN4O2 — CID 75989401

IUPAC2'-amino-6-(5-chloro-3-pyridinyl)-2-[(3-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
SMILESCN1C(=O)C2(CC(C)(Cc3cccc(F)c3)Oc3ccc(-c4cncc(Cl)c4)cc32)N=C1N
InChIInChI=1S/C25H22ClFN4O2/c1-24(11-15-4-3-5-19(27)8-15)14-25(22(32)31(2)23(28)30-25)20-10-16(6-7-21(20)33-24)17-9-18(26)13-29-12-17/h3-10,12-13H,11,14H2,1-2H3,(H2,28,30)
InChIKeyPZNKPOIQUDBDKX-UHFFFAOYSA-N
MW464.93 g/mol
LogP4.31
Rot. Bonds3

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

2'-amino-6-(5-chloro-3-pyridinyl)-2-[(3-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one (PubChem CID 75989401) has the molecular formula C25H22ClFN4O2 and a molecular weight of 464.93 g/mol. Its IUPAC name is 2'-amino-6-(5-chloro-3-pyridinyl)-2-[(3-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one.

Molecular Properties

Compound Name2'-amino-6-(5-chloro-3-pyridinyl)-2-[(3-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
PubChem CID75989401
Molecular FormulaC25H22ClFN4O2
Molecular Weight464.93 g/mol
Exact Mass464.14
IUPAC Name2'-amino-6-(5-chloro-3-pyridinyl)-2-[(3-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
SMILESCN1C(=O)C2(CC(C)(Cc3cccc(F)c3)Oc3ccc(-c4cncc(Cl)c4)cc32)N=C1N
InChIInChI=1S/C25H22ClFN4O2/c1-24(11-15-4-3-5-19(27)8-15)14-25(22(32)31(2)23(28)30-25)20-10-16(6-7-21(20)33-24)17-9-18(26)13-29-12-17/h3-10,12-13H,11,14H2,1-2H3,(H2,28,30)
InChIKeyPZNKPOIQUDBDKX-UHFFFAOYSA-N
XLogP4.31
TPSA80.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.93
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2'-amino-6-(5-chloro-3-pyridinyl)-2-[(3-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
The IUPAC name of 2'-amino-6-(5-chloro-3-pyridinyl)-2-[(3-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one (CID 75989401) is 2'-amino-6-(5-chloro-3-pyridinyl)-2-[(3-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one.
What is the SMILES notation for 2'-amino-6-(5-chloro-3-pyridinyl)-2-[(3-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
The canonical SMILES for 2'-amino-6-(5-chloro-3-pyridinyl)-2-[(3-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one is CN1C(=O)C2(CC(C)(Cc3cccc(F)c3)Oc3ccc(-c4cncc(Cl)c4)cc32)N=C1N.
What is the InChIKey of 2'-amino-6-(5-chloro-3-pyridinyl)-2-[(3-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
The InChIKey is PZNKPOIQUDBDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClFN4O2/c1-24(11-15-4-3-5-19(27)8-15)14-25(22(32)31(2)23(28)30-25)20-10-16(6-7-21(20)33-24)17-9-18(26)13-29-12-17/h3-10,12-13H,11,14H2,1-2H3,(H2,28,30).
What are the key properties of 2'-amino-6-(5-chloro-3-pyridinyl)-2-[(3-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
2'-amino-6-(5-chloro-3-pyridinyl)-2-[(3-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one has a molecular weight of 464.93 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-6-(5-chloro-3-pyridinyl)-2-[(3-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one is sourced from PubChem (CID 75989401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).