5-benzoyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one;1-methoxyethenoxy(trimethyl)silane

C25H27N3O4Si — CID 136659905

IUPAC5-benzoyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one;1-methoxyethenoxy(trimethyl)silane
SMILESC=C(OC)O[Si](C)(C)C.O=C(c1ccccc1)c1c[nH]c2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C19H13N3O2.C6H14O2Si/c23-17(13-7-3-1-4-8-13)15-11-20-19-16(18(15)24)12-21-22(19)14-9-5-2-6-10-14;1-6(7-2)8-9(3,4)5/h1-12H,(H,20,24);1H2,2-5H3
InChIKeyHGJHZWLFBPDMQV-UHFFFAOYSA-N
MW461.59 g/mol
LogP4.90
Rot. Bonds6

About 5-benzoyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one;1-methoxyethenoxy(trimethyl)silane

5-benzoyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one;1-methoxyethenoxy(trimethyl)silane (PubChem CID 136659905) has the molecular formula C25H27N3O4Si and a molecular weight of 461.59 g/mol. Its IUPAC name is 5-benzoyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one;1-methoxyethenoxy(trimethyl)silane.

Molecular Properties

Compound Name5-benzoyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one;1-methoxyethenoxy(trimethyl)silane
PubChem CID136659905
Molecular FormulaC25H27N3O4Si
Molecular Weight461.59 g/mol
Exact Mass461.18
IUPAC Name5-benzoyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one;1-methoxyethenoxy(trimethyl)silane
SMILESC=C(OC)O[Si](C)(C)C.O=C(c1ccccc1)c1c[nH]c2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C19H13N3O2.C6H14O2Si/c23-17(13-7-3-1-4-8-13)15-11-20-19-16(18(15)24)12-21-22(19)14-9-5-2-6-10-14;1-6(7-2)8-9(3,4)5/h1-12H,(H,20,24);1H2,2-5H3
InChIKeyHGJHZWLFBPDMQV-UHFFFAOYSA-N
XLogP4.90
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.59
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(5-methyl-1-phenylpyrazol-4-yl)-phenylmethanone
CID 10706606
5-(4-chlorobenzoyl)-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one
CID 135603504
1-ethyl-5-(3-fluorobenzoyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 135603505
3-benzoyl-6-ethoxy-1H-quinolin-4-one
CID 4605296
methyl 1-butyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 136961827
methyl 5-[(7-oxo-1-phenyl-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl)methyl]furan-2-carboxylate
CID 16846997
4-methyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 137187360
5-methyl-1-phenyl-7H-pyrazolo[5,4-d]pyrimidine-4,6-dione
CID 135485986
(6-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-phenylmethanone
CID 10711371
4-amino-6-oxo-1-phenyl-7H-pyrazolo[5,4-b]pyridine-5-carboxylic acid
CID 135854283
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603
4-methoxy-2-phenyl-5-sulfanylpyridazin-3-one
CID 10944372

Frequently Asked Questions

What is the IUPAC name of 5-benzoyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one;1-methoxyethenoxy(trimethyl)silane?
The IUPAC name of 5-benzoyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one;1-methoxyethenoxy(trimethyl)silane (CID 136659905) is 5-benzoyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one;1-methoxyethenoxy(trimethyl)silane.
What is the SMILES notation for 5-benzoyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one;1-methoxyethenoxy(trimethyl)silane?
The canonical SMILES for 5-benzoyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one;1-methoxyethenoxy(trimethyl)silane is C=C(OC)O[Si](C)(C)C.O=C(c1ccccc1)c1c[nH]c2c(cnn2-c2ccccc2)c1=O.
What is the InChIKey of 5-benzoyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one;1-methoxyethenoxy(trimethyl)silane?
The InChIKey is HGJHZWLFBPDMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O2.C6H14O2Si/c23-17(13-7-3-1-4-8-13)15-11-20-19-16(18(15)24)12-21-22(19)14-9-5-2-6-10-14;1-6(7-2)8-9(3,4)5/h1-12H,(H,20,24);1H2,2-5H3.
What are the key properties of 5-benzoyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one;1-methoxyethenoxy(trimethyl)silane?
5-benzoyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one;1-methoxyethenoxy(trimethyl)silane has a molecular weight of 461.59 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzoyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one;1-methoxyethenoxy(trimethyl)silane is sourced from PubChem (CID 136659905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).