CID 169229549

C24H17BFN3O4S — CID 169229549

IUPAC—
SMILES[B]Cc1ccc2cc(C(=O)Nc3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3F)sc2n1
InChIInChI=1S/C24H17BFN3O4S/c25-12-16-3-1-14-10-21(34-24(14)28-16)23(31)29-18-11-15(4-5-17(18)26)27-22(30)13-2-6-19-20(9-13)33-8-7-32-19/h1-6,9-11H,7-8,12H2,(H,27,30)(H,29,31)
InChIKeyARDUWJIRGUDSIS-UHFFFAOYSA-N
MW473.29 g/mol
LogP4.38
Rot. Bonds5

About CID 169229549

CID 169229549 (PubChem CID 169229549) has the molecular formula C24H17BFN3O4S and a molecular weight of 473.29 g/mol.

Molecular Properties

Compound NameCID 169229549
PubChem CID169229549
Molecular FormulaC24H17BFN3O4S
Molecular Weight473.29 g/mol
Exact Mass473.10
IUPAC Name—
SMILES[B]Cc1ccc2cc(C(=O)Nc3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3F)sc2n1
InChIInChI=1S/C24H17BFN3O4S/c25-12-16-3-1-14-10-21(34-24(14)28-16)23(31)29-18-11-15(4-5-17(18)26)27-22(30)13-2-6-19-20(9-13)33-8-7-32-19/h1-6,9-11H,7-8,12H2,(H,27,30)(H,29,31)
InChIKeyARDUWJIRGUDSIS-UHFFFAOYSA-N
XLogP4.38
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.29
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

6-[(4-acetylpiperazin-1-yl)methyl]-N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-fluorophenyl]thieno[2,3-b]pyridine-2-carboxamide
CID 169229503
N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-fluorophenyl]-6-[[(1-ethylpiperidin-4-yl)amino]methyl]thieno[2,3-b]pyridine-2-carboxamide
CID 169229623
6-[[(4S)-2,5-diazabicyclo[2.2.0]hexan-2-yl]methyl]-N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-fluorophenyl]thieno[2,3-b]pyridine-2-carboxamide;molecular hydrogen
CID 169229564
N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-fluorophenyl]-6-(3-pyrrolidin-1-ylpropoxy)thieno[2,3-b]pyridine-2-carboxamide
CID 169229482
N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-fluorophenyl]-2-[[4-(1,1,2,2,2-pentahydroxyethyl)piperazin-1-yl]methyl]quinoline-6-carboxamide
CID 134413562
N-[3-[(5-fluoro-1-benzothiophene-2-carbonyl)amino]-4-methylphenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 169229512
N-[4-methyl-3-[[6-(trifluoromethyl)-1-benzothiophene-2-carbonyl]amino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 169229445
2-(azetidin-1-ylmethyl)-N-[5-(2,3-dihydro-1-benzofuran-6-carbonylamino)-2-fluorophenyl]quinoline-6-carboxamide
CID 122589594
3-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluorobenzamide
CID 110764768
N-[4-fluoro-3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 35101594
N-[5-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]-2-fluorophenyl]-2-formylquinoline-6-carboxamide
CID 159549515
N-[4-methyl-3-[[6-(2-prop-2-enoxyethoxy)-1-benzothiophene-2-carbonyl]amino]phenyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 169229678

Frequently Asked Questions

What is the IUPAC name of CID 169229549?
The IUPAC name of CID 169229549 (CID 169229549) is not available.
What is the SMILES notation for CID 169229549?
The canonical SMILES for CID 169229549 is [B]Cc1ccc2cc(C(=O)Nc3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3F)sc2n1.
What is the InChIKey of CID 169229549?
The InChIKey is ARDUWJIRGUDSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BFN3O4S/c25-12-16-3-1-14-10-21(34-24(14)28-16)23(31)29-18-11-15(4-5-17(18)26)27-22(30)13-2-6-19-20(9-13)33-8-7-32-19/h1-6,9-11H,7-8,12H2,(H,27,30)(H,29,31).
What are the key properties of CID 169229549?
CID 169229549 has a molecular weight of 473.29 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 169229549 is sourced from PubChem (CID 169229549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).