5-[(dimethylamino)methyl]-1-ethyl-3,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one;hydrochloride

C13H21ClN4O — CID 137195894

IUPAC5-[(dimethylamino)methyl]-1-ethyl-3,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one;hydrochloride
SMILESCCn1nc(C)c2c(=O)c(CN(C)C)c(C)[nH]c21.Cl
InChIInChI=1S/C13H20N4O.ClH/c1-6-17-13-11(9(3)15-17)12(18)10(7-16(4)5)8(2)14-13;/h6-7H2,1-5H3,(H,14,18);1H
InChIKeyHYTXEXJMDWSJIB-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.84
Rot. Bonds3

About 5-[(dimethylamino)methyl]-1-ethyl-3,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one;hydrochloride

5-[(dimethylamino)methyl]-1-ethyl-3,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one;hydrochloride (PubChem CID 137195894) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-ethyl-3,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one;hydrochloride.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-ethyl-3,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one;hydrochloride
PubChem CID137195894
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name5-[(dimethylamino)methyl]-1-ethyl-3,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one;hydrochloride
SMILESCCn1nc(C)c2c(=O)c(CN(C)C)c(C)[nH]c21.Cl
InChIInChI=1S/C13H20N4O.ClH/c1-6-17-13-11(9(3)15-17)12(18)10(7-16(4)5)8(2)14-13;/h6-7H2,1-5H3,(H,14,18);1H
InChIKeyHYTXEXJMDWSJIB-UHFFFAOYSA-N
XLogP1.84
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-ethyl-3,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one;hydrochloride?
The IUPAC name of 5-[(dimethylamino)methyl]-1-ethyl-3,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one;hydrochloride (CID 137195894) is 5-[(dimethylamino)methyl]-1-ethyl-3,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one;hydrochloride.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-ethyl-3,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one;hydrochloride?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-ethyl-3,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one;hydrochloride is CCn1nc(C)c2c(=O)c(CN(C)C)c(C)[nH]c21.Cl.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-ethyl-3,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one;hydrochloride?
The InChIKey is HYTXEXJMDWSJIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O.ClH/c1-6-17-13-11(9(3)15-17)12(18)10(7-16(4)5)8(2)14-13;/h6-7H2,1-5H3,(H,14,18);1H.
What are the key properties of 5-[(dimethylamino)methyl]-1-ethyl-3,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one;hydrochloride?
5-[(dimethylamino)methyl]-1-ethyl-3,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-ethyl-3,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one;hydrochloride is sourced from PubChem (CID 137195894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).