2,3a-dimethyl-5-[2-methyl-2-(methylamino)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one

C13H22N4O2 — CID 18685041

IUPAC2,3a-dimethyl-5-[2-methyl-2-(methylamino)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one
SMILESCNC(C)(C)C(=O)N1CCC2=NN(C)C(=O)C2(C)C1
InChIInChI=1S/C13H22N4O2/c1-12(2,14-4)10(18)17-7-6-9-13(3,8-17)11(19)16(5)15-9/h14H,6-8H2,1-5H3
InChIKeyAKLMAHZBADHCSU-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.05
Rot. Bonds2

About 2,3a-dimethyl-5-[2-methyl-2-(methylamino)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one

2,3a-dimethyl-5-[2-methyl-2-(methylamino)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one (PubChem CID 18685041) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2,3a-dimethyl-5-[2-methyl-2-(methylamino)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name2,3a-dimethyl-5-[2-methyl-2-(methylamino)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one
PubChem CID18685041
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name2,3a-dimethyl-5-[2-methyl-2-(methylamino)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one
SMILESCNC(C)(C)C(=O)N1CCC2=NN(C)C(=O)C2(C)C1
InChIInChI=1S/C13H22N4O2/c1-12(2,14-4)10(18)17-7-6-9-13(3,8-17)11(19)16(5)15-9/h14H,6-8H2,1-5H3
InChIKeyAKLMAHZBADHCSU-UHFFFAOYSA-N
XLogP0.05
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3a-dimethyl-5-[2-methyl-2-(methylamino)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 2,3a-dimethyl-5-[2-methyl-2-(methylamino)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one (CID 18685041) is 2,3a-dimethyl-5-[2-methyl-2-(methylamino)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 2,3a-dimethyl-5-[2-methyl-2-(methylamino)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 2,3a-dimethyl-5-[2-methyl-2-(methylamino)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one is CNC(C)(C)C(=O)N1CCC2=NN(C)C(=O)C2(C)C1.
What is the InChIKey of 2,3a-dimethyl-5-[2-methyl-2-(methylamino)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one?
The InChIKey is AKLMAHZBADHCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-12(2,14-4)10(18)17-7-6-9-13(3,8-17)11(19)16(5)15-9/h14H,6-8H2,1-5H3.
What are the key properties of 2,3a-dimethyl-5-[2-methyl-2-(methylamino)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one?
2,3a-dimethyl-5-[2-methyl-2-(methylamino)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one has a molecular weight of 266.34 g/mol, XLogP of 0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3a-dimethyl-5-[2-methyl-2-(methylamino)propanoyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 18685041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).