3-amino-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C8H12N4O — CID 135981410

IUPAC3-amino-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCC1CC(=O)Nc2c1c(N)nn2C
InChIInChI=1S/C8H12N4O/c1-4-3-5(13)10-8-6(4)7(9)11-12(8)2/h4H,3H2,1-2H3,(H2,9,11)(H,10,13)
InChIKeyMNZHDVAYXOUTSB-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.45
Rot. Bonds

About 3-amino-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

3-amino-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135981410) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 3-amino-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name3-amino-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135981410
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name3-amino-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCC1CC(=O)Nc2c1c(N)nn2C
InChIInChI=1S/C8H12N4O/c1-4-3-5(13)10-8-6(4)7(9)11-12(8)2/h4H,3H2,1-2H3,(H2,9,11)(H,10,13)
InChIKeyMNZHDVAYXOUTSB-UHFFFAOYSA-N
XLogP0.45
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-3-amino-1,5-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135912932
ethyl 4-[(1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl)amino]-4-oxobutanoate
CID 137256858
N-[(4R)-1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]-2-ethoxyacetamide
CID 136908617
(4R)-4-cyclohexyl-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826185
3,4-dimethyl-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 155424536
1-methyl-4-(2-methylpyrazol-3-yl)-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 169413276
(4R)-4-(4-fluorophenyl)-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136892937
(4R)-3-tert-butyl-4-(1H-imidazol-2-yl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136810369
3-tert-butyl-4-(3-fluoro-2-pyridinyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 171387890
6-amino-1-methyl-2,4-dihydro-1H-pyrido[3,2-f][1,8]naphthyridin-3-one
CID 21276783
2-amino-4-bromo-5-methyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
CID 13487162
3-tert-butyl-1-methyl-4-[(E)-1-phenylprop-1-en-2-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135987072

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 3-amino-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 135981410) is 3-amino-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 3-amino-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 3-amino-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CC1CC(=O)Nc2c1c(N)nn2C.
What is the InChIKey of 3-amino-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is MNZHDVAYXOUTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-4-3-5(13)10-8-6(4)7(9)11-12(8)2/h4H,3H2,1-2H3,(H2,9,11)(H,10,13).
What are the key properties of 3-amino-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
3-amino-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 180.21 g/mol, XLogP of 0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,4-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135981410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).