3-cyclobutyl-4-[2-(dimethylamino)phenyl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

C18H22N4O — CID 135461961

IUPAC3-cyclobutyl-4-[2-(dimethylamino)phenyl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCN(C)c1ccccc1C1CC(=O)Nc2n[nH]c(C3CCC3)c21
InChIInChI=1S/C18H22N4O/c1-22(2)14-9-4-3-8-12(14)13-10-15(23)19-18-16(13)17(20-21-18)11-6-5-7-11/h3-4,8-9,11,13H,5-7,10H2,1-2H3,(H2,19,20,21,23)
InChIKeySAGHOZVLCGCTKA-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.22
Rot. Bonds3

About 3-cyclobutyl-4-[2-(dimethylamino)phenyl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

3-cyclobutyl-4-[2-(dimethylamino)phenyl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 135461961) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-cyclobutyl-4-[2-(dimethylamino)phenyl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-cyclobutyl-4-[2-(dimethylamino)phenyl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
PubChem CID135461961
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name3-cyclobutyl-4-[2-(dimethylamino)phenyl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESCN(C)c1ccccc1C1CC(=O)Nc2n[nH]c(C3CCC3)c21
InChIInChI=1S/C18H22N4O/c1-22(2)14-9-4-3-8-12(14)13-10-15(23)19-18-16(13)17(20-21-18)11-6-5-7-11/h3-4,8-9,11,13H,5-7,10H2,1-2H3,(H2,19,20,21,23)
InChIKeySAGHOZVLCGCTKA-UHFFFAOYSA-N
XLogP3.22
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(2,3-difluorophenyl)-1H-pyrazolo[3,4-c]pyridazin-3-yl]-2-(1-ethylpiperidin-4-yl)acetamide
CID 6539564
Pha-533533
CID 5330949
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxopiperidin-1-yl)phenyl]propanamide
CID 5330950
3-Aminopyrazole deriv. 15
CID 5330951
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]propanamide
CID 5330952
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(2-oxo-5-phenylpyrrolidin-1-yl)phenyl]propanamide
CID 5330953
3-Aminopyrazole deriv. 27
CID 5330961
3-Aminopyrazole deriv. 28
CID 5330962
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-pyrrolidin-1-ylphenyl)propanamide
CID 5330969
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-phenylphenyl)acetamide
CID 5331003
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-methylphenyl)phenyl]acetamide
CID 5331005
N-(5-phenyl-1H-indazol-3-yl)butanamide
CID 6539551

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-4-[2-(dimethylamino)phenyl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 3-cyclobutyl-4-[2-(dimethylamino)phenyl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (CID 135461961) is 3-cyclobutyl-4-[2-(dimethylamino)phenyl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 3-cyclobutyl-4-[2-(dimethylamino)phenyl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 3-cyclobutyl-4-[2-(dimethylamino)phenyl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is CN(C)c1ccccc1C1CC(=O)Nc2n[nH]c(C3CCC3)c21.
What is the InChIKey of 3-cyclobutyl-4-[2-(dimethylamino)phenyl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is SAGHOZVLCGCTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-22(2)14-9-4-3-8-12(14)13-10-15(23)19-18-16(13)17(20-21-18)11-6-5-7-11/h3-4,8-9,11,13H,5-7,10H2,1-2H3,(H2,19,20,21,23).
What are the key properties of 3-cyclobutyl-4-[2-(dimethylamino)phenyl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
3-cyclobutyl-4-[2-(dimethylamino)phenyl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 310.40 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-4-[2-(dimethylamino)phenyl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 135461961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).