CID 58424673

C24H25N5O3 — CID 58424673

IUPAC—
SMILESCC(=O)N1CCC2(CC1)CC1(N=C(N)N(C)O1)c1cc(-c3cccc(C#N)c3)ccc1O2
InChIInChI=1S/C24H25N5O3/c1-16(30)29-10-8-23(9-11-29)15-24(27-22(26)28(2)32-24)20-13-19(6-7-21(20)31-23)18-5-3-4-17(12-18)14-25/h3-7,12-13H,8-11,15H2,1-2H3,(H2,26,27)
InChIKeyMQQDBVYUYRTTAL-UHFFFAOYSA-N
MW431.50 g/mol
LogP2.73
Rot. Bonds1

About CID 58424673

CID 58424673 (PubChem CID 58424673) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol.

Molecular Properties

Compound NameCID 58424673
PubChem CID58424673
Molecular FormulaC24H25N5O3
Molecular Weight431.50 g/mol
Exact Mass431.20
IUPAC Name—
SMILESCC(=O)N1CCC2(CC1)CC1(N=C(N)N(C)O1)c1cc(-c3cccc(C#N)c3)ccc1O2
InChIInChI=1S/C24H25N5O3/c1-16(30)29-10-8-23(9-11-29)15-24(27-22(26)28(2)32-24)20-13-19(6-7-21(20)31-23)18-5-3-4-17(12-18)14-25/h3-7,12-13H,8-11,15H2,1-2H3,(H2,26,27)
InChIKeyMQQDBVYUYRTTAL-UHFFFAOYSA-N
XLogP2.73
TPSA104.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-Amino-2'-(2,2-dimethyloxan-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-6'-yl]-5-fluorobenzonitrile
CID 58423915
3-[3-Amino-2'-(2,2-dimethyloxan-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-6'-yl]-4-fluorobenzonitrile
CID 58424265
CID 58424272
CID 58424272
CID 58424311
CID 58424311
3-[3-Amino-2-methyl-2'-(oxan-3-yl)spiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-6'-yl]-5-fluorobenzonitrile
CID 58424427
3-[3-Amino-2'-(2,2-dimethyloxan-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-6'-yl]-2-fluorobenzonitrile
CID 58424467
3-[(2'R)-3-amino-2'-(2,2-dimethyloxan-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-6'-yl]-2-fluorobenzonitrile
CID 58424587
3-[(2'R)-3-amino-2'-[(4S)-2,2-dimethyloxan-4-yl]-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-6'-yl]-2-fluorobenzonitrile
CID 58424623
5-(3-Amino-2-methyl-2'-phenylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-6'-yl)-2-fluorobenzonitrile
CID 58424676
3-[(2'S)-3-amino-2'-(2,2-dimethyloxan-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-6'-yl]-2-fluorobenzonitrile
CID 58424707
3-[3-Amino-2'-(2,2-dimethyloxan-4-yl)-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-6'-yl]-4-(fluoromethyl)benzonitrile
CID 58424753
CID 58424755
CID 58424755

Frequently Asked Questions

What is the IUPAC name of CID 58424673?
The IUPAC name of CID 58424673 (CID 58424673) is not available.
What is the SMILES notation for CID 58424673?
The canonical SMILES for CID 58424673 is CC(=O)N1CCC2(CC1)CC1(N=C(N)N(C)O1)c1cc(-c3cccc(C#N)c3)ccc1O2.
What is the InChIKey of CID 58424673?
The InChIKey is MQQDBVYUYRTTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-16(30)29-10-8-23(9-11-29)15-24(27-22(26)28(2)32-24)20-13-19(6-7-21(20)31-23)18-5-3-4-17(12-18)14-25/h3-7,12-13H,8-11,15H2,1-2H3,(H2,26,27).
What are the key properties of CID 58424673?
CID 58424673 has a molecular weight of 431.50 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58424673 is sourced from PubChem (CID 58424673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).