CID 58424406

C23H24N4O3 — CID 58424406

IUPAC—
SMILESCc1cc2c(cc1-c1cccc(C#N)c1)C1(CC3(CCCOC3)O2)N=C(N)N(C)O1
InChIInChI=1S/C23H24N4O3/c1-15-9-20-19(11-18(15)17-6-3-5-16(10-17)12-24)23(26-21(25)27(2)30-23)13-22(29-20)7-4-8-28-14-22/h3,5-6,9-11H,4,7-8,13-14H2,1-2H3,(H2,25,26)
InChIKeyYFBYHDIPNGBJAE-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.21
Rot. Bonds1

About CID 58424406

CID 58424406 (PubChem CID 58424406) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol.

Molecular Properties

Compound NameCID 58424406
PubChem CID58424406
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name—
SMILESCc1cc2c(cc1-c1cccc(C#N)c1)C1(CC3(CCCOC3)O2)N=C(N)N(C)O1
InChIInChI=1S/C23H24N4O3/c1-15-9-20-19(11-18(15)17-6-3-5-16(10-17)12-24)23(26-21(25)27(2)30-23)13-22(29-20)7-4-8-28-14-22/h3,5-6,9-11H,4,7-8,13-14H2,1-2H3,(H2,25,26)
InChIKeyYFBYHDIPNGBJAE-UHFFFAOYSA-N
XLogP3.21
TPSA93.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 58424260
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CID 58424673
CID 58424673
CID 58424077
CID 58424077
CID 58424063
CID 58424063
CID 58424052
CID 58424052
CID 58423809
CID 58423809
3-[(5R)-3-amino-2-methylspiro[1,2,4-oxadiazole-5,4'-2,3-dihydrochromene]-6'-yl]benzonitrile;3,4-dihydro-2H-chromene
CID 143944612
3-(4'-acetyl-3-amino-2-methylspiro[1,2,4-oxadiazole-5,8'-3,5,6,7-tetrahydro-2H-1,4-benzoxazecine]-10'-yl)benzonitrile
CID 90750075
CID 91091141
CID 91091141
CID 71077829
CID 71077829

Frequently Asked Questions

What is the IUPAC name of CID 58424406?
The IUPAC name of CID 58424406 (CID 58424406) is not available.
What is the SMILES notation for CID 58424406?
The canonical SMILES for CID 58424406 is Cc1cc2c(cc1-c1cccc(C#N)c1)C1(CC3(CCCOC3)O2)N=C(N)N(C)O1.
What is the InChIKey of CID 58424406?
The InChIKey is YFBYHDIPNGBJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-15-9-20-19(11-18(15)17-6-3-5-16(10-17)12-24)23(26-21(25)27(2)30-23)13-22(29-20)7-4-8-28-14-22/h3,5-6,9-11H,4,7-8,13-14H2,1-2H3,(H2,25,26).
What are the key properties of CID 58424406?
CID 58424406 has a molecular weight of 404.47 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58424406 is sourced from PubChem (CID 58424406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).