2-(dimethylamino)-N-(4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide

C16H17N5O — CID 155914697

IUPAC2-(dimethylamino)-N-(4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
SMILESCN(C)CC(=O)Nc1[nH]nc2nccc(-c3ccccc3)c12
InChIInChI=1S/C16H17N5O/c1-21(2)10-13(22)18-16-14-12(11-6-4-3-5-7-11)8-9-17-15(14)19-20-16/h3-9H,10H2,1-2H3,(H2,17,18,19,20,22)
InChIKeyMGQJQIOOWDWMHJ-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.12
Rot. Bonds4

About 2-(dimethylamino)-N-(4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide

2-(dimethylamino)-N-(4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide (PubChem CID 155914697) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-(dimethylamino)-N-(4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-(4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
PubChem CID155914697
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-(dimethylamino)-N-(4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide
SMILESCN(C)CC(=O)Nc1[nH]nc2nccc(-c3ccccc3)c12
InChIInChI=1S/C16H17N5O/c1-21(2)10-13(22)18-16-14-12(11-6-4-3-5-7-11)8-9-17-15(14)19-20-16/h3-9H,10H2,1-2H3,(H2,17,18,19,20,22)
InChIKeyMGQJQIOOWDWMHJ-UHFFFAOYSA-N
XLogP2.12
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-N-(4-phenyl-1,2-oxazol-5-yl)acetamide
CID 118895396
3-[[2-[[2-(dimethylamino)acetyl]amino]phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 56761127
2-(dimethylamino)-N-[5-[3-[7-(3-fluorophenyl)-1H-imidazo[4,5-b]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 137055316
N-[2-[[2-(dimethylamino)acetyl]amino]phenyl]-3-(4-ethylphenyl)-1H-pyrazole-5-carboxamide
CID 131941004
N-[2-[[2-(dimethylamino)acetyl]amino]phenyl]-2-phenylacetamide
CID 131931780
1-[4-(diethylamino)phenyl]-3-[4-[3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]phenyl]urea
CID 175029449
N-(5-phenyl-1H-pyrazol-3-yl)butanamide
CID 110868179
2-(dimethylamino)-N-[5-[3-[4-(2-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 136945963
N-(2-anilino-2-oxoethyl)-2-bromo-N-methylpyridine-4-carboxamide
CID 103752363
2-(dimethylamino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 21383101
N-[3-(dimethylamino)propyl]-2-(3-methyl-4-phenylpyrazolo[3,4-b]pyridin-1-yl)acetamide
CID 19489239
N-(2-bromophenyl)-2-(dimethylamino)acetamide;hydrochloride
CID 2959503

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-(4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide?
The IUPAC name of 2-(dimethylamino)-N-(4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide (CID 155914697) is 2-(dimethylamino)-N-(4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-(4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide?
The canonical SMILES for 2-(dimethylamino)-N-(4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide is CN(C)CC(=O)Nc1[nH]nc2nccc(-c3ccccc3)c12.
What is the InChIKey of 2-(dimethylamino)-N-(4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide?
The InChIKey is MGQJQIOOWDWMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-21(2)10-13(22)18-16-14-12(11-6-4-3-5-7-11)8-9-17-15(14)19-20-16/h3-9H,10H2,1-2H3,(H2,17,18,19,20,22).
What are the key properties of 2-(dimethylamino)-N-(4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide?
2-(dimethylamino)-N-(4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide has a molecular weight of 295.35 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-(4-phenyl-2H-pyrazolo[3,4-b]pyridin-3-yl)acetamide is sourced from PubChem (CID 155914697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).