N-[(4R)-1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]-2-ethoxyacetamide

C12H18N4O3 — CID 136908617

IUPACN-[(4R)-1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1nn(C)c2c1[C@H](C)CC(=O)N2
InChIInChI=1S/C12H18N4O3/c1-4-19-6-9(18)13-11-10-7(2)5-8(17)14-12(10)16(3)15-11/h7H,4-6H2,1-3H3,(H,14,17)(H,13,15,18)/t7-/m1/s1
InChIKeyWLVJJZXNBSXBTA-SSDOTTSWSA-N
MW266.30 g/mol
LogP0.84
Rot. Bonds4

About N-[(4R)-1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]-2-ethoxyacetamide

N-[(4R)-1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]-2-ethoxyacetamide (PubChem CID 136908617) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-[(4R)-1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[(4R)-1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]-2-ethoxyacetamide
PubChem CID136908617
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-[(4R)-1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1nn(C)c2c1[C@H](C)CC(=O)N2
InChIInChI=1S/C12H18N4O3/c1-4-19-6-9(18)13-11-10-7(2)5-8(17)14-12(10)16(3)15-11/h7H,4-6H2,1-3H3,(H,14,17)(H,13,15,18)/t7-/m1/s1
InChIKeyWLVJJZXNBSXBTA-SSDOTTSWSA-N
XLogP0.84
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]-2-ethoxyacetamide?
The IUPAC name of N-[(4R)-1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]-2-ethoxyacetamide (CID 136908617) is N-[(4R)-1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]-2-ethoxyacetamide.
What is the SMILES notation for N-[(4R)-1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]-2-ethoxyacetamide?
The canonical SMILES for N-[(4R)-1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]-2-ethoxyacetamide is CCOCC(=O)Nc1nn(C)c2c1[C@H](C)CC(=O)N2.
What is the InChIKey of N-[(4R)-1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]-2-ethoxyacetamide?
The InChIKey is WLVJJZXNBSXBTA-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-4-19-6-9(18)13-11-10-7(2)5-8(17)14-12(10)16(3)15-11/h7H,4-6H2,1-3H3,(H,14,17)(H,13,15,18)/t7-/m1/s1.
What are the key properties of N-[(4R)-1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]-2-ethoxyacetamide?
N-[(4R)-1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]-2-ethoxyacetamide has a molecular weight of 266.30 g/mol, XLogP of 0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1,4-dimethyl-6-oxo-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-3-yl]-2-ethoxyacetamide is sourced from PubChem (CID 136908617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).