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

C16H23N5O2 — CID 124697467

IUPAC1-[(3S)-3-methylpiperazin-1-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone
SMILESCc1cc(C)c2c(OCC(=O)N3CCN[C@@H](C)C3)nn(C)c2n1
InChIInChI=1S/C16H23N5O2/c1-10-7-11(2)18-15-14(10)16(19-20(15)4)23-9-13(22)21-6-5-17-12(3)8-21/h7,12,17H,5-6,8-9H2,1-4H3/t12-/m0/s1
InChIKeyKGUGOUJIFQSUAB-LBPRGKRZSA-N
MW317.39 g/mol
LogP0.78
Rot. Bonds3

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

1-[(3S)-3-methylpiperazin-1-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone (PubChem CID 124697467) has the molecular formula C16H23N5O2 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[(3S)-3-methylpiperazin-1-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone.

Molecular Properties

Compound Name1-[(3S)-3-methylpiperazin-1-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone
PubChem CID124697467
Molecular FormulaC16H23N5O2
Molecular Weight317.39 g/mol
Exact Mass317.19
IUPAC Name1-[(3S)-3-methylpiperazin-1-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone
SMILESCc1cc(C)c2c(OCC(=O)N3CCN[C@@H](C)C3)nn(C)c2n1
InChIInChI=1S/C16H23N5O2/c1-10-7-11(2)18-15-14(10)16(19-20(15)4)23-9-13(22)21-6-5-17-12(3)8-21/h7,12,17H,5-6,8-9H2,1-4H3/t12-/m0/s1
InChIKeyKGUGOUJIFQSUAB-LBPRGKRZSA-N
XLogP0.78
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(3S)-3-methylpiperazin-1-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-piperazin-1-yl-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone
CID 124694501
N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
CID 119046852
1-(3-methylpiperazin-1-yl)-2-(5-methyl-2-propan-2-ylphenoxy)ethanone;hydrochloride
CID 119577423
2-(3,5-dimethylpyrazol-1-yl)-1-(3-methylpiperazin-1-yl)ethanone
CID 65418529
2-(4-chlorophenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 81426221
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
CID 86885142
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
CID 86965207
(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 124692449
(4,6-dimethyl-2-pyridinyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 114269672
2-(2,4-difluorophenoxy)-1-[(3S)-3-methylpiperazin-1-yl]ethanone
CID 124694108
2-(3-chloro-2-methylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone
CID 119580291
2-(4-ethylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119576796

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-methylpiperazin-1-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone?
The IUPAC name of 1-[(3S)-3-methylpiperazin-1-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone (CID 124697467) is 1-[(3S)-3-methylpiperazin-1-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone.
What is the SMILES notation for 1-[(3S)-3-methylpiperazin-1-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone?
The canonical SMILES for 1-[(3S)-3-methylpiperazin-1-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone is Cc1cc(C)c2c(OCC(=O)N3CCN[C@@H](C)C3)nn(C)c2n1.
What is the InChIKey of 1-[(3S)-3-methylpiperazin-1-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone?
The InChIKey is KGUGOUJIFQSUAB-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N5O2/c1-10-7-11(2)18-15-14(10)16(19-20(15)4)23-9-13(22)21-6-5-17-12(3)8-21/h7,12,17H,5-6,8-9H2,1-4H3/t12-/m0/s1.
What are the key properties of 1-[(3S)-3-methylpiperazin-1-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone?
1-[(3S)-3-methylpiperazin-1-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone has a molecular weight of 317.39 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-methylpiperazin-1-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone is sourced from PubChem (CID 124697467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).