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

C13H20N4O — CID 135853018

IUPAC5-[(dimethylamino)methyl]-1-ethyl-3,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCCn1nc(C)c2c(=O)c(CN(C)C)c(C)[nH]c21
InChIInChI=1S/C13H20N4O/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)
InChIKeyFIDKLESTYWZVKR-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.42
Rot. Bonds3

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

5-[(dimethylamino)methyl]-1-ethyl-3,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one (PubChem CID 135853018) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-ethyl-3,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-ethyl-3,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one
PubChem CID135853018
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name5-[(dimethylamino)methyl]-1-ethyl-3,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one
SMILESCCn1nc(C)c2c(=O)c(CN(C)C)c(C)[nH]c21
InChIInChI=1S/C13H20N4O/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)
InChIKeyFIDKLESTYWZVKR-UHFFFAOYSA-N
XLogP1.42
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-Dimethyl-2,4,5-triazatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7),5-trien-8-one
CID 135875690
4,6-Dimethyl-11-thia-2,4,5-triazatricyclo[7.3.0.0^{3,7}]dodeca-1(9),3(7),5-trien-8-one
CID 135452280
N-cyclohexyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562536
7-butyl-N-cyclohexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562537
N-cyclohexyl-1,3-dimethyl-4-oxo-7-propylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562538
N-cyclohexyl-1,3-dimethyl-4-oxo-7-prop-2-enylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562539
N-cyclohexyl-7-hexyl-1,3-dimethyl-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562648
N-(cyclohexylmethyl)-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562652
N-cycloheptyl-1,3-dimethyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562781
1,3-dimethyl-N-(5-methylhexan-2-yl)-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562784
N-cyclohexyl-3-ethyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 71562901
1,3-Dimethyl-6-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-4-ol
CID 135424139

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?
The IUPAC name of 5-[(dimethylamino)methyl]-1-ethyl-3,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one (CID 135853018) is 5-[(dimethylamino)methyl]-1-ethyl-3,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-ethyl-3,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-ethyl-3,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one is CCn1nc(C)c2c(=O)c(CN(C)C)c(C)[nH]c21.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-ethyl-3,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one?
The InChIKey is FIDKLESTYWZVKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/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).
What are the key properties of 5-[(dimethylamino)methyl]-1-ethyl-3,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one?
5-[(dimethylamino)methyl]-1-ethyl-3,6-dimethyl-7H-pyrazolo[5,4-b]pyridin-4-one has a molecular weight of 248.33 g/mol, XLogP of 1.42, 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 is sourced from PubChem (CID 135853018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).