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

C24H21ClFN5O2 — CID 123793261

IUPAC(2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2-[(5-fluoro-2-pyridinyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
SMILESCN1C(=O)[C@@]2(C[C@@](C)(Cc3ccc(F)cn3)Oc3ccc(-c4cncc(Cl)c4)cc32)N=C1N
InChIInChI=1S/C24H21ClFN5O2/c1-23(9-18-5-4-17(26)12-29-18)13-24(21(32)31(2)22(27)30-24)19-8-14(3-6-20(19)33-23)15-7-16(25)11-28-10-15/h3-8,10-12H,9,13H2,1-2H3,(H2,27,30)/t23-,24+/m1/s1
InChIKeyWOHDGDDAUZYCGB-RPWUZVMVSA-N
MW465.92 g/mol
LogP3.70
Rot. Bonds3

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

(2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2-[(5-fluoro-2-pyridinyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one (PubChem CID 123793261) has the molecular formula C24H21ClFN5O2 and a molecular weight of 465.92 g/mol. Its IUPAC name is (2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2-[(5-fluoro-2-pyridinyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one.

Molecular Properties

Compound Name(2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2-[(5-fluoro-2-pyridinyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
PubChem CID123793261
Molecular FormulaC24H21ClFN5O2
Molecular Weight465.92 g/mol
Exact Mass465.14
IUPAC Name(2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2-[(5-fluoro-2-pyridinyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
SMILESCN1C(=O)[C@@]2(C[C@@](C)(Cc3ccc(F)cn3)Oc3ccc(-c4cncc(Cl)c4)cc32)N=C1N
InChIInChI=1S/C24H21ClFN5O2/c1-23(9-18-5-4-17(26)12-29-18)13-24(21(32)31(2)22(27)30-24)19-8-14(3-6-20(19)33-23)15-7-16(25)11-28-10-15/h3-8,10-12H,9,13H2,1-2H3,(H2,27,30)/t23-,24+/m1/s1
InChIKeyWOHDGDDAUZYCGB-RPWUZVMVSA-N
XLogP3.70
TPSA93.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.92
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2'-amino-6-(5-chloro-3-pyridinyl)-2-[(3-fluorophenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 75989401
(4R)-2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 67236442
2'-amino-6-(5-chloro-3-pyridinyl)-2-[[3-(difluoromethoxy)phenyl]methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 75989538
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
(2R)-2'-amino-6-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 53246312
N-[[2'-amino-6-(3-chloro-5-fluorophenyl)-1',2-dimethyl-5'-oxospiro[3H-chromene-4,4'-imidazole]-2-yl]methyl]-N-methylmethanimidamide
CID 123742003
(2R,4R)-2'-amino-6-(5-chloro-3-pyridinyl)-2,3'-dimethyl-2-[(4-pyrimidin-5-ylphenyl)methyl]spiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one
CID 66683935
2'-amino-6-cyclohexyl-2,3'-dimethyl-2-(pyridin-2-ylmethyl)spiro[3H-chromene-4,5'-imidazole]-4'-one
CID 75989536
2'-amino-6-(3-chloro-5-fluorophenyl)-2-ethyl-2,3'-dimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one
CID 123965637
2'-amino-6-bromo-2-[(4-methoxyphenyl)methyl]-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one
CID 87319579
(2R)-2'-amino-2-(cyclopropylmethyl)-6-(2-fluoro-3-pyridinyl)-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one
CID 53247645
(2'S,4R)-2-amino-2'-benzyl-6'-(3-chlorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one
CID 123841237

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2-[(5-fluoro-2-pyridinyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
The IUPAC name of (2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2-[(5-fluoro-2-pyridinyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one (CID 123793261) is (2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2-[(5-fluoro-2-pyridinyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one.
What is the SMILES notation for (2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2-[(5-fluoro-2-pyridinyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
The canonical SMILES for (2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2-[(5-fluoro-2-pyridinyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one is CN1C(=O)[C@@]2(C[C@@](C)(Cc3ccc(F)cn3)Oc3ccc(-c4cncc(Cl)c4)cc32)N=C1N.
What is the InChIKey of (2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2-[(5-fluoro-2-pyridinyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
The InChIKey is WOHDGDDAUZYCGB-RPWUZVMVSA-N. The full InChI is InChI=1S/C24H21ClFN5O2/c1-23(9-18-5-4-17(26)12-29-18)13-24(21(32)31(2)22(27)30-24)19-8-14(3-6-20(19)33-23)15-7-16(25)11-28-10-15/h3-8,10-12H,9,13H2,1-2H3,(H2,27,30)/t23-,24+/m1/s1.
What are the key properties of (2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2-[(5-fluoro-2-pyridinyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
(2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2-[(5-fluoro-2-pyridinyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one has a molecular weight of 465.92 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2'-amino-6-(5-chloro-3-pyridinyl)-2-[(5-fluoro-2-pyridinyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one is sourced from PubChem (CID 123793261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).