5-amino-7-ethyl-3-methyl-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one;aniline

C21H25N5O — CID 177014693

IUPAC5-amino-7-ethyl-3-methyl-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one;aniline
SMILESCCN1C(=O)C(N)Cc2c(C)nn(-c3ccccc3)c21.Nc1ccccc1
InChIInChI=1S/C15H18N4O.C6H7N/c1-3-18-14-12(9-13(16)15(18)20)10(2)17-19(14)11-7-5-4-6-8-11;7-6-4-2-1-3-5-6/h4-8,13H,3,9,16H2,1-2H3;1-5H,7H2
InChIKeyBQEIWITZNZNPLX-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.69
Rot. Bonds2

About 5-amino-7-ethyl-3-methyl-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one;aniline

5-amino-7-ethyl-3-methyl-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one;aniline (PubChem CID 177014693) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 5-amino-7-ethyl-3-methyl-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one;aniline.

Molecular Properties

Compound Name5-amino-7-ethyl-3-methyl-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one;aniline
PubChem CID177014693
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name5-amino-7-ethyl-3-methyl-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one;aniline
SMILESCCN1C(=O)C(N)Cc2c(C)nn(-c3ccccc3)c21.Nc1ccccc1
InChIInChI=1S/C15H18N4O.C6H7N/c1-3-18-14-12(9-13(16)15(18)20)10(2)17-19(14)11-7-5-4-6-8-11;7-6-4-2-1-3-5-6/h4-8,13H,3,9,16H2,1-2H3;1-5H,7H2
InChIKeyBQEIWITZNZNPLX-UHFFFAOYSA-N
XLogP2.69
TPSA90.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4S)-7-ethyl-3-methyl-1,4-diphenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
CID 177014897
benzene;ethane;N-(7-ethyl-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)acetamide;(Z)-N-(methylideneamino)prop-1-en-1-amine;propane
CID 177014335
3,7-dimethyl-1-phenyl-5,6-dihydro-4H-pyrazolo[5,4-b]pyridine-5-carboxylic acid
CID 82027269
3-(aminomethyl)-7-ethyl-1-phenyl-4,5-dihydropyrazolo[3,4-b]pyridin-6-one;ethane;methanamine
CID 155747014
N-[(5S)-7-ethyl-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-3-(trifluoromethyl)benzamide;molecular hydrogen;N-phenylcyclobutene-1-carboxamide
CID 177014915
N-(7-ethyl-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl)-3-(trifluoromethyl)benzamide;methyl 2-(phenylcarbamoyl)cyclobutene-1-carboxylate
CID 177014631
(4S,5S)-5-(3,3-dimethyl-2-oxobutyl)-7-ethyl-4-(4-fluorophenyl)-3-methyl-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one
CID 167600691
N-[(4S)-7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]cyclohexanecarboxamide
CID 155424364
3-methyl-1,5-diphenyl-4,7-dihydropyrazolo[5,4-d]pyrimidin-6-one
CID 136705112
N-[(4R)-4-(3-aminophenyl)-7-ethyl-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-4-(trifluoromethyl)pyrimidine-2-carboxamide
CID 177014816
4-amino-1-(5-methyl-2-phenylpyrazol-3-yl)pyrrolidin-2-one
CID 168699785
N-[7-ethyl-4-(4-fluorophenyl)-3-methyl-6-oxo-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-5-yl]-3-phenylbenzamide
CID 155424516

Frequently Asked Questions

What is the IUPAC name of 5-amino-7-ethyl-3-methyl-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one;aniline?
The IUPAC name of 5-amino-7-ethyl-3-methyl-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one;aniline (CID 177014693) is 5-amino-7-ethyl-3-methyl-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one;aniline.
What is the SMILES notation for 5-amino-7-ethyl-3-methyl-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one;aniline?
The canonical SMILES for 5-amino-7-ethyl-3-methyl-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one;aniline is CCN1C(=O)C(N)Cc2c(C)nn(-c3ccccc3)c21.Nc1ccccc1.
What is the InChIKey of 5-amino-7-ethyl-3-methyl-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one;aniline?
The InChIKey is BQEIWITZNZNPLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O.C6H7N/c1-3-18-14-12(9-13(16)15(18)20)10(2)17-19(14)11-7-5-4-6-8-11;7-6-4-2-1-3-5-6/h4-8,13H,3,9,16H2,1-2H3;1-5H,7H2.
What are the key properties of 5-amino-7-ethyl-3-methyl-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one;aniline?
5-amino-7-ethyl-3-methyl-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one;aniline has a molecular weight of 363.47 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-7-ethyl-3-methyl-1-phenyl-4,5-dihydropyrazolo[5,4-b]pyridin-6-one;aniline is sourced from PubChem (CID 177014693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).