3-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-N,N-diethylbenzamide

C19H23N5O — CID 72935280

IUPAC3-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(-c2c(C)nc3n[nH]c(N)c3c2C)c1
InChIInChI=1S/C19H23N5O/c1-5-24(6-2)19(25)14-9-7-8-13(10-14)15-11(3)16-17(20)22-23-18(16)21-12(15)4/h7-10H,5-6H2,1-4H3,(H3,20,21,22,23)
InChIKeyNTQASXSORBSWEQ-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.31
Rot. Bonds4

About 3-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-N,N-diethylbenzamide

3-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-N,N-diethylbenzamide (PubChem CID 72935280) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-N,N-diethylbenzamide.

Molecular Properties

Compound Name3-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-N,N-diethylbenzamide
PubChem CID72935280
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name3-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-N,N-diethylbenzamide
SMILESCCN(CC)C(=O)c1cccc(-c2c(C)nc3n[nH]c(N)c3c2C)c1
InChIInChI=1S/C19H23N5O/c1-5-24(6-2)19(25)14-9-7-8-13(10-14)15-11(3)16-17(20)22-23-18(16)21-12(15)4/h7-10H,5-6H2,1-4H3,(H3,20,21,22,23)
InChIKeyNTQASXSORBSWEQ-UHFFFAOYSA-N
XLogP3.31
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-2-(trifluoromethoxy)phenol
CID 137335370
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CID 157018895
3-(4,5-dimethylpyridazin-3-yl)-N,N-diethylbenzamide
CID 157018493
N,N-diethyl-3-(1,3-thiazol-2-yl)benzamide
CID 110372127
2-(2,6-dimethylphenyl)-N,N-diethyl-3H-benzimidazole-5-carboxamide
CID 143659496
3-(2-amino-4-hydrazinylquinazolin-6-yl)-N,N-diethylbenzamide
CID 69014106
2-[ethyl-[3-(2H-tetrazol-5-yl)benzoyl]amino]acetic acid
CID 61021113
3-(2-amino-4-benzylpyrido[3,2-d]pyrimidin-6-yl)-N,N-diethylbenzamide
CID 68915002
5-(3-aminophenyl)-N,N-diethylpyridine-3-carboxamide
CID 10355739
5-[3-(diethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 72914641
N,N-diethyl-3-[5-(methoxymethyl)-1-methyl-1,2,4-triazol-3-yl]benzamide
CID 163308243
CID 174412487
CID 174412487

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-N,N-diethylbenzamide?
The IUPAC name of 3-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-N,N-diethylbenzamide (CID 72935280) is 3-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-N,N-diethylbenzamide.
What is the SMILES notation for 3-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-N,N-diethylbenzamide?
The canonical SMILES for 3-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-N,N-diethylbenzamide is CCN(CC)C(=O)c1cccc(-c2c(C)nc3n[nH]c(N)c3c2C)c1.
What is the InChIKey of 3-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-N,N-diethylbenzamide?
The InChIKey is NTQASXSORBSWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-5-24(6-2)19(25)14-9-7-8-13(10-14)15-11(3)16-17(20)22-23-18(16)21-12(15)4/h7-10H,5-6H2,1-4H3,(H3,20,21,22,23).
What are the key properties of 3-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-N,N-diethylbenzamide?
3-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-N,N-diethylbenzamide has a molecular weight of 337.43 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-4,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-N,N-diethylbenzamide is sourced from PubChem (CID 72935280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).