CID 56948919

C24H23ClFN3O4 — CID 56948919

IUPAC—
SMILESCN1C(=O)C2(N=C1N)c1cc(-c3cc(F)cc(Cl)c3)ccc1OC1CC3(CCC12)OCCO3
InChIInChI=1S/C24H23ClFN3O4/c1-29-21(30)24(28-22(29)27)17-4-5-23(31-6-7-32-23)12-20(17)33-19-3-2-13(10-18(19)24)14-8-15(25)11-16(26)9-14/h2-3,8-11,17,20H,4-7,12H2,1H3,(H2,27,28)
InChIKeyGASCBKZEMHMOMO-UHFFFAOYSA-N
MW471.92 g/mol
LogP3.43
Rot. Bonds1

About CID 56948919

CID 56948919 (PubChem CID 56948919) has the molecular formula C24H23ClFN3O4 and a molecular weight of 471.92 g/mol.

Molecular Properties

Compound NameCID 56948919
PubChem CID56948919
Molecular FormulaC24H23ClFN3O4
Molecular Weight471.92 g/mol
Exact Mass471.14
IUPAC Name—
SMILESCN1C(=O)C2(N=C1N)c1cc(-c3cc(F)cc(Cl)c3)ccc1OC1CC3(CCC12)OCCO3
InChIInChI=1S/C24H23ClFN3O4/c1-29-21(30)24(28-22(29)27)17-4-5-23(31-6-7-32-23)12-20(17)33-19-3-2-13(10-18(19)24)14-8-15(25)11-16(26)9-14/h2-3,8-11,17,20H,4-7,12H2,1H3,(H2,27,28)
InChIKeyGASCBKZEMHMOMO-UHFFFAOYSA-N
XLogP3.43
TPSA86.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.92
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4r)-2'-Amino-6-(3-Chlorophenyl)-1',2,2-Trimethyl-2,3-Dihydrospiro[chromene-4,4'-Imidazol]-5'(1'h)-One
CID 68322076
(4aS,10R,10aS)-2'-amino-8-(3-chloro-5-fluorophenyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,5'-imidazole]-4'-one
CID 56948806
(4aS,10R,10aS)-2'-amino-8-(3-methoxyphenyl)-3'-methylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,5'-imidazole]-4'-one
CID 56947699
(4aS,10R,10aS)-2'-amino-8-[3-(difluoromethoxy)phenyl]-3'-methylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,5'-imidazole]-4'-one
CID 56947700
(4aS,10R,10aS)-2'-amino-8-[3-(difluoromethoxy)phenyl]-7-fluoro-3'-methylspiro[3,4,4a,10a-tetrahydro-1H-pyrano[4,3-b]chromene-10,5'-imidazole]-4'-one
CID 56947829
2'-amino-6-(3-chloro-5-fluorophenyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 68321730
2'-amino-6-(5-chloro-2-fluorophenyl)-2,2,3'-trimethylspiro[3H-chromene-4,5'-imidazole]-4'-one
CID 68321837
CID 68322203
CID 68322203
(5S)-2-amino-7'-(3-chlorophenyl)-2'-(3,6-dihydro-2H-pyran-4-yl)-4'-fluoro-3-methylspiro[imidazole-5,9'-xanthene]-4-one
CID 91819654
(5S)-2-amino-7'-(3-chlorophenyl)-4'-fluoro-3-methyl-2'-(4-methylphenyl)spiro[imidazole-5,9'-xanthene]-4-one
CID 67616318
(5R)-2-amino-7'-(3-chlorophenyl)-4'-fluoro-3-methyl-2'-(4-methylphenyl)spiro[imidazole-5,9'-xanthene]-4-one
CID 67617094
(5R)-2-amino-7'-(3-chlorophenyl)-2'-(3,6-dihydro-2H-pyran-4-yl)-4'-fluoro-3-methylspiro[imidazole-5,9'-xanthene]-4-one
CID 91819655

Frequently Asked Questions

What is the IUPAC name of CID 56948919?
The IUPAC name of CID 56948919 (CID 56948919) is not available.
What is the SMILES notation for CID 56948919?
The canonical SMILES for CID 56948919 is CN1C(=O)C2(N=C1N)c1cc(-c3cc(F)cc(Cl)c3)ccc1OC1CC3(CCC12)OCCO3.
What is the InChIKey of CID 56948919?
The InChIKey is GASCBKZEMHMOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN3O4/c1-29-21(30)24(28-22(29)27)17-4-5-23(31-6-7-32-23)12-20(17)33-19-3-2-13(10-18(19)24)14-8-15(25)11-16(26)9-14/h2-3,8-11,17,20H,4-7,12H2,1H3,(H2,27,28).
What are the key properties of CID 56948919?
CID 56948919 has a molecular weight of 471.92 g/mol, XLogP of 3.43, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 56948919 is sourced from PubChem (CID 56948919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).