CID 174087484

C27H24FN6O2Si — CID 174087484

IUPAC—
SMILESCn1cc(C(=O)N[Si](C)c2cccc(F)c2)c2cc(-c3ccc4nc(NC(=O)C5CC5)nn4c3)ccc21
InChIInChI=1S/C27H24FN6O2Si/c1-33-15-22(26(36)32-37(2)20-5-3-4-19(28)13-20)21-12-17(8-10-23(21)33)18-9-11-24-29-27(31-34(24)14-18)30-25(35)16-6-7-16/h3-5,8-16H,6-7H2,1-2H3,(H,32,36)(H,30,31,35)
InChIKeyJXPJHFOODUIORW-UHFFFAOYSA-N
MW511.61 g/mol
LogP3.63
Rot. Bonds6

About CID 174087484

CID 174087484 (PubChem CID 174087484) has the molecular formula C27H24FN6O2Si and a molecular weight of 511.61 g/mol.

Molecular Properties

Compound NameCID 174087484
PubChem CID174087484
Molecular FormulaC27H24FN6O2Si
Molecular Weight511.61 g/mol
Exact Mass511.17
IUPAC Name—
SMILESCn1cc(C(=O)N[Si](C)c2cccc(F)c2)c2cc(-c3ccc4nc(NC(=O)C5CC5)nn4c3)ccc21
InChIInChI=1S/C27H24FN6O2Si/c1-33-15-22(26(36)32-37(2)20-5-3-4-19(28)13-20)21-12-17(8-10-23(21)33)18-9-11-24-29-27(31-34(24)14-18)30-25(35)16-6-7-16/h3-5,8-16H,6-7H2,1-2H3,(H,32,36)(H,30,31,35)
InChIKeyJXPJHFOODUIORW-UHFFFAOYSA-N
XLogP3.63
TPSA93.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.61
LogP ≤ 53.63
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

5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-1-methylindole-3-carboxamide
CID 170008683
5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-N-[2-(4-methylphenyl)butan-2-yl]indole-3-carboxamide
CID 170012281
5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-1-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-3-carboxamide
CID 170408885
N-[7-[3-[2-(3,5-difluorophenyl)pyrrolidine-1-carbonyl]-1-methylindol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 170010119
N-[(3-fluorophenyl)methyl]-1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]indole-3-carboxamide
CID 170009816
5-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]-N-[1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 170009715
N-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-4-carboxamide
CID 110471857
N-[6-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,1-dioxothiane-4-carboxamide
CID 168926379
N-[1-(3-fluorophenyl)ethyl]-5-[2-(3-hydroxyazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylindole-3-carboxamide
CID 170010037
N-[7-[6-fluoro-1-methyl-3-(2-phenylpyrrolidine-1-carbonyl)indol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 170008763
5-fluoro-N-[(1R,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]-1-methylindole-3-carboxamide
CID 164637052
N-[5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]-2-methylphenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 25127857

Frequently Asked Questions

What is the IUPAC name of CID 174087484?
The IUPAC name of CID 174087484 (CID 174087484) is not available.
What is the SMILES notation for CID 174087484?
The canonical SMILES for CID 174087484 is Cn1cc(C(=O)N[Si](C)c2cccc(F)c2)c2cc(-c3ccc4nc(NC(=O)C5CC5)nn4c3)ccc21.
What is the InChIKey of CID 174087484?
The InChIKey is JXPJHFOODUIORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN6O2Si/c1-33-15-22(26(36)32-37(2)20-5-3-4-19(28)13-20)21-12-17(8-10-23(21)33)18-9-11-24-29-27(31-34(24)14-18)30-25(35)16-6-7-16/h3-5,8-16H,6-7H2,1-2H3,(H,32,36)(H,30,31,35).
What are the key properties of CID 174087484?
CID 174087484 has a molecular weight of 511.61 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174087484 is sourced from PubChem (CID 174087484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).