1-piperazin-1-yl-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone

C15H21N5O2 — CID 124694501

IUPAC1-piperazin-1-yl-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone
SMILESCc1cc(C)c2c(OCC(=O)N3CCNCC3)nn(C)c2n1
InChIInChI=1S/C15H21N5O2/c1-10-8-11(2)17-14-13(10)15(18-19(14)3)22-9-12(21)20-6-4-16-5-7-20/h8,16H,4-7,9H2,1-3H3
InChIKeyLQYADOOPTBVKDC-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.40
Rot. Bonds3

About 1-piperazin-1-yl-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone

1-piperazin-1-yl-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone (PubChem CID 124694501) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 1-piperazin-1-yl-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone.

Molecular Properties

Compound Name1-piperazin-1-yl-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone
PubChem CID124694501
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name1-piperazin-1-yl-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone
SMILESCc1cc(C)c2c(OCC(=O)N3CCNCC3)nn(C)c2n1
InChIInChI=1S/C15H21N5O2/c1-10-8-11(2)17-14-13(10)15(18-19(14)3)22-9-12(21)20-6-4-16-5-7-20/h8,16H,4-7,9H2,1-3H3
InChIKeyLQYADOOPTBVKDC-UHFFFAOYSA-N
XLogP0.40
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3S)-3-methylpiperazin-1-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone
CID 124697467
N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
CID 119046852
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
CID 86885142
N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
CID 124682828
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
CID 56573478
2-(3-methyl-4-propan-2-ylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119403032
N-methyl-N-[(1S)-1-(3-nitrophenyl)ethyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
CID 52522831
2-(2,3-dimethylphenoxy)-1-piperazin-1-ylethanone
CID 9156518
2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119402543
4,6-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)amino]pyridine-3-carboxylic acid
CID 61404479
2-[2,6-dimethyl-4-(piperazine-1-carbonyl)phenoxy]-1-piperidin-1-ylethanone
CID 119401934
N,N-dimethyl-3-(2-oxo-2-piperazin-1-ylethoxy)benzamide
CID 28916795

Frequently Asked Questions

What is the IUPAC name of 1-piperazin-1-yl-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone?
The IUPAC name of 1-piperazin-1-yl-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone (CID 124694501) is 1-piperazin-1-yl-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone.
What is the SMILES notation for 1-piperazin-1-yl-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone?
The canonical SMILES for 1-piperazin-1-yl-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone is Cc1cc(C)c2c(OCC(=O)N3CCNCC3)nn(C)c2n1.
What is the InChIKey of 1-piperazin-1-yl-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone?
The InChIKey is LQYADOOPTBVKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-10-8-11(2)17-14-13(10)15(18-19(14)3)22-9-12(21)20-6-4-16-5-7-20/h8,16H,4-7,9H2,1-3H3.
What are the key properties of 1-piperazin-1-yl-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone?
1-piperazin-1-yl-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone has a molecular weight of 303.37 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperazin-1-yl-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone is sourced from PubChem (CID 124694501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).