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

C26H23ClF2N4O3 — CID 75989538

IUPAC2'-amino-6-(5-chloro-3-pyridinyl)-2-[[3-(difluoromethoxy)phenyl]methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
SMILESCN1C(=O)C2(CC(C)(Cc3cccc(OC(F)F)c3)Oc3ccc(-c4cncc(Cl)c4)cc32)N=C1N
InChIInChI=1S/C26H23ClF2N4O3/c1-25(11-15-4-3-5-19(8-15)35-23(28)29)14-26(22(34)33(2)24(30)32-26)20-10-16(6-7-21(20)36-25)17-9-18(27)13-31-12-17/h3-10,12-13,23H,11,14H2,1-2H3,(H2,30,32)
InChIKeyIEBTWPVLQDFFDZ-UHFFFAOYSA-N
MW512.94 g/mol
LogP4.77
Rot. Bonds5

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

2'-amino-6-(5-chloro-3-pyridinyl)-2-[[3-(difluoromethoxy)phenyl]methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one (PubChem CID 75989538) has the molecular formula C26H23ClF2N4O3 and a molecular weight of 512.94 g/mol. Its IUPAC name is 2'-amino-6-(5-chloro-3-pyridinyl)-2-[[3-(difluoromethoxy)phenyl]methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one.

Molecular Properties

Compound Name2'-amino-6-(5-chloro-3-pyridinyl)-2-[[3-(difluoromethoxy)phenyl]methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
PubChem CID75989538
Molecular FormulaC26H23ClF2N4O3
Molecular Weight512.94 g/mol
Exact Mass512.14
IUPAC Name2'-amino-6-(5-chloro-3-pyridinyl)-2-[[3-(difluoromethoxy)phenyl]methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
SMILESCN1C(=O)C2(CC(C)(Cc3cccc(OC(F)F)c3)Oc3ccc(-c4cncc(Cl)c4)cc32)N=C1N
InChIInChI=1S/C26H23ClF2N4O3/c1-25(11-15-4-3-5-19(8-15)35-23(28)29)14-26(22(34)33(2)24(30)32-26)20-10-16(6-7-21(20)36-25)17-9-18(27)13-31-12-17/h3-10,12-13,23H,11,14H2,1-2H3,(H2,30,32)
InChIKeyIEBTWPVLQDFFDZ-UHFFFAOYSA-N
XLogP4.77
TPSA90.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.94
LogP ≤ 54.77
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
(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
(4R)-2'-amino-6-(5-chloro-3-pyridinyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 67236442
(2R)-2'-amino-6-(3-chlorophenyl)-2-[(4-methoxyphenyl)methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 53246312
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,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
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
(2'S,4R)-2-amino-2'-benzyl-6'-(3-chlorophenyl)-2'-methylspiro[1H-imidazole-4,4'-3H-chromene]-5-one
CID 123841237
2'-amino-6-bromo-2-[(4-methoxyphenyl)methyl]-2,3'-dimethylspiro[3H-pyrano[2,3-c]pyridine-4,5'-imidazole]-4'-one
CID 87319579
2'-amino-6-(3-chloro-5-fluorophenyl)-2-ethyl-2,3'-dimethylspiro[1,3-dihydronaphthalene-4,5'-imidazole]-4'-one
CID 123965637
CID 58424135
CID 58424135
2'-amino-10-(3-chlorophenyl)-3'-methylspiro[3,4,6,7-tetrahydro-2H-1,5-benzodioxecine-8,5'-imidazole]-4'-one
CID 91141040

Frequently Asked Questions

What is the IUPAC name of 2'-amino-6-(5-chloro-3-pyridinyl)-2-[[3-(difluoromethoxy)phenyl]methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
The IUPAC name of 2'-amino-6-(5-chloro-3-pyridinyl)-2-[[3-(difluoromethoxy)phenyl]methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one (CID 75989538) is 2'-amino-6-(5-chloro-3-pyridinyl)-2-[[3-(difluoromethoxy)phenyl]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-(difluoromethoxy)phenyl]methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
The canonical SMILES for 2'-amino-6-(5-chloro-3-pyridinyl)-2-[[3-(difluoromethoxy)phenyl]methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one is CN1C(=O)C2(CC(C)(Cc3cccc(OC(F)F)c3)Oc3ccc(-c4cncc(Cl)c4)cc32)N=C1N.
What is the InChIKey of 2'-amino-6-(5-chloro-3-pyridinyl)-2-[[3-(difluoromethoxy)phenyl]methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
The InChIKey is IEBTWPVLQDFFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClF2N4O3/c1-25(11-15-4-3-5-19(8-15)35-23(28)29)14-26(22(34)33(2)24(30)32-26)20-10-16(6-7-21(20)36-25)17-9-18(27)13-31-12-17/h3-10,12-13,23H,11,14H2,1-2H3,(H2,30,32).
What are the key properties of 2'-amino-6-(5-chloro-3-pyridinyl)-2-[[3-(difluoromethoxy)phenyl]methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one?
2'-amino-6-(5-chloro-3-pyridinyl)-2-[[3-(difluoromethoxy)phenyl]methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one has a molecular weight of 512.94 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-6-(5-chloro-3-pyridinyl)-2-[[3-(difluoromethoxy)phenyl]methyl]-2,3'-dimethylspiro[3H-chromene-4,5'-imidazole]-4'-one is sourced from PubChem (CID 75989538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).