N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide

C24H32N6O2 — CID 86885142

IUPACN-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
SMILESCc1cc(C)c2c(OCC(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)nn(C)c2n1
InChIInChI=1S/C24H32N6O2/c1-17-15-18(2)25-23-22(17)24(27-29(23)4)32-16-21(31)26-20-7-5-19(6-8-20)9-10-30-13-11-28(3)12-14-30/h5-8,15H,9-14,16H2,1-4H3,(H,26,31)
InChIKeyIJKXZSCGSOTNRR-UHFFFAOYSA-N
MW436.56 g/mol
LogP2.39
Rot. Bonds7

About N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide

N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide (PubChem CID 86885142) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
PubChem CID86885142
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC NameN-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
SMILESCc1cc(C)c2c(OCC(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)nn(C)c2n1
InChIInChI=1S/C24H32N6O2/c1-17-15-18(2)25-23-22(17)24(27-29(23)4)32-16-21(31)26-20-7-5-19(6-8-20)9-10-30-13-11-28(3)12-14-30/h5-8,15H,9-14,16H2,1-4H3,(H,26,31)
InChIKeyIJKXZSCGSOTNRR-UHFFFAOYSA-N
XLogP2.39
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide 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

N-[2-(hydroxymethyl)-3-(4-methylphenyl)propyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
CID 119046852
N-[(2S)-2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
CID 124682828
1-piperazin-1-yl-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone
CID 124694501
N-(3-tert-butyl-1-pyrimidin-2-ylpyrazol-5-yl)-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide
CID 56573478
1-[(3S)-3-methylpiperazin-1-yl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyethanone
CID 124697467
2-(3-methylphenoxy)-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 108743731
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-3-[4-(trifluoromethyl)phenyl]propanamide
CID 86897509
1,3,6-trimethyl-N-(4-propylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 24627619
[4-(2-phenylethyl)piperazin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 24627504
N-[4-(2-aminoethyl)phenyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 148502419
1,3-dimethyl-N-[4-(2-morpholin-4-ylethyl)phenyl]-6-thiophen-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55905280
N-[4-[2-(4-hydroxypiperidin-1-yl)ethyl]phenyl]-2-methoxyacetamide
CID 71989273

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide?
The IUPAC name of N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide (CID 86885142) is N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide.
What is the SMILES notation for N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide?
The canonical SMILES for N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide is Cc1cc(C)c2c(OCC(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)nn(C)c2n1.
What is the InChIKey of N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide?
The InChIKey is IJKXZSCGSOTNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-17-15-18(2)25-23-22(17)24(27-29(23)4)32-16-21(31)26-20-7-5-19(6-8-20)9-10-30-13-11-28(3)12-14-30/h5-8,15H,9-14,16H2,1-4H3,(H,26,31).
What are the key properties of N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide?
N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide has a molecular weight of 436.56 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]-2-(1,4,6-trimethylpyrazolo[5,4-b]pyridin-3-yl)oxyacetamide is sourced from PubChem (CID 86885142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).