5-(4-chlorobenzoyl)-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one

C15H12ClN3O2 — CID 135603504

IUPAC5-(4-chlorobenzoyl)-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCCn1ncc2c(=O)c(C(=O)c3ccc(Cl)cc3)c[nH]c21
InChIInChI=1S/C15H12ClN3O2/c1-2-19-15-12(8-18-19)14(21)11(7-17-15)13(20)9-3-5-10(16)6-4-9/h3-8H,2H2,1H3,(H,17,21)
InChIKeyIEEKLFVWSBLGBH-UHFFFAOYSA-N
MW301.73 g/mol
LogP2.63
Rot. Bonds3

About 5-(4-chlorobenzoyl)-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one

5-(4-chlorobenzoyl)-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 135603504) has the molecular formula C15H12ClN3O2 and a molecular weight of 301.73 g/mol. Its IUPAC name is 5-(4-chlorobenzoyl)-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name5-(4-chlorobenzoyl)-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID135603504
Molecular FormulaC15H12ClN3O2
Molecular Weight301.73 g/mol
Exact Mass301.06
IUPAC Name5-(4-chlorobenzoyl)-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCCn1ncc2c(=O)c(C(=O)c3ccc(Cl)cc3)c[nH]c21
InChIInChI=1S/C15H12ClN3O2/c1-2-19-15-12(8-18-19)14(21)11(7-17-15)13(20)9-3-5-10(16)6-4-9/h3-8H,2H2,1H3,(H,17,21)
InChIKeyIEEKLFVWSBLGBH-UHFFFAOYSA-N
XLogP2.63
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.73
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5-(3-fluorobenzoyl)-7H-pyrazolo[5,4-b]pyridin-4-one
CID 135603505
methyl 1-butyl-4-oxo-7H-pyrazolo[5,4-b]pyridine-5-carboxylate
CID 136961827
6-chloro-3-(4-methylbenzoyl)-1H-quinolin-4-one
CID 22423707
2-(4-chlorobenzoyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]benzamide
CID 19296874
2-(4-chlorobenzoyl)-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide
CID 19290508
6-chloro-3-(4-fluorobenzoyl)-1H-quinolin-4-one
CID 22423715
7-(4-chlorobenzoyl)-5H-[1,3]dioxolo[4,5-g]quinolin-8-one
CID 53337344
5-benzoyl-1-phenyl-7H-pyrazolo[5,4-b]pyridin-4-one;1-methoxyethenoxy(trimethyl)silane
CID 136659905
(6-chloro-1H-indol-3-yl)-(4-chlorophenyl)methanone
CID 43163471
5-(4-chlorophenyl)-1-ethylpyrazol-4-ol
CID 105480039
(4-bromo-1-ethylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanone
CID 114641629
4-chloro-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]benzamide
CID 19290546

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorobenzoyl)-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The IUPAC name of 5-(4-chlorobenzoyl)-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one (CID 135603504) is 5-(4-chlorobenzoyl)-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 5-(4-chlorobenzoyl)-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 5-(4-chlorobenzoyl)-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one is CCn1ncc2c(=O)c(C(=O)c3ccc(Cl)cc3)c[nH]c21.
What is the InChIKey of 5-(4-chlorobenzoyl)-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is IEEKLFVWSBLGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2/c1-2-19-15-12(8-18-19)14(21)11(7-17-15)13(20)9-3-5-10(16)6-4-9/h3-8H,2H2,1H3,(H,17,21).
What are the key properties of 5-(4-chlorobenzoyl)-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one?
5-(4-chlorobenzoyl)-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 301.73 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorobenzoyl)-1-ethyl-7H-pyrazolo[5,4-b]pyridin-4-one is sourced from PubChem (CID 135603504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).