1-(2-ethoxyethyl)-3-methyl-5-piperazin-1-yl-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine

C19H26N8O — CID 11682414

IUPAC1-(2-ethoxyethyl)-3-methyl-5-piperazin-1-yl-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCOCCn1nc(C)c2nc(N3CCNCC3)nc(Nc3ccccn3)c21
InChIInChI=1S/C19H26N8O/c1-3-28-13-12-27-17-16(14(2)25-27)23-19(26-10-8-20-9-11-26)24-18(17)22-15-6-4-5-7-21-15/h4-7,20H,3,8-13H2,1-2H3,(H,21,22,23,24)
InChIKeyZHZMWQQYGLFACT-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.72
Rot. Bonds7

About 1-(2-ethoxyethyl)-3-methyl-5-piperazin-1-yl-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine

1-(2-ethoxyethyl)-3-methyl-5-piperazin-1-yl-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 11682414) has the molecular formula C19H26N8O and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-methyl-5-piperazin-1-yl-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-methyl-5-piperazin-1-yl-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID11682414
Molecular FormulaC19H26N8O
Molecular Weight382.47 g/mol
Exact Mass382.22
IUPAC Name1-(2-ethoxyethyl)-3-methyl-5-piperazin-1-yl-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCOCCn1nc(C)c2nc(N3CCNCC3)nc(Nc3ccccn3)c21
InChIInChI=1S/C19H26N8O/c1-3-28-13-12-27-17-16(14(2)25-27)23-19(26-10-8-20-9-11-26)24-18(17)22-15-6-4-5-7-21-15/h4-7,20H,3,8-13H2,1-2H3,(H,21,22,23,24)
InChIKeyZHZMWQQYGLFACT-UHFFFAOYSA-N
XLogP1.72
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(2-ethoxyethyl)-3-methyl-5-piperazin-1-yl-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine 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

Vs-5584
CID 46912230
Lanraplenib
CID 118161062
Bay-41-8543
CID 9953906
5-(2-Morpholin-4-Yl-7-Pyridin-3-Yl-6,7-Dihydro-5h-Pyrrolo[2,3-D]pyrimidin-4-Yl)-Pyrimidin-2-Ylamine
CID 24889936
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[4-(morpholin-4-yl)pyridin-2-yl]pyrimidin-4-yl]acetamide
CID 25069599
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-[5-(morpholin-4-yl)pyridin-3-yl]pyrimidin-4-yl]acetamide
CID 25074313
N-[2-(4-Methoxypiperidin-1-Yl)pyrimidin-4-Yl]-2-(1h-Pyrazol-4-Yl)-3h-Imidazo[4,5-C]pyridin-6-Amine
CID 86278568
US9266891, III-19
CID 90161075
1-Cyclopentyl-N-[2-(4-Methoxypiperidin-1-Yl)pyrimidin-4-Yl]-1h-Imidazo[4,5-C]pyridin-6-Amine
CID 90178371
N-{2-[4-(2-Aminoethyl)-4-Methoxypiperidin-1-Yl]pyrimidin-4-Yl}-2-Methyl-1-(Propan-2-Yl)-1h-Imidazo[4,5-C]pyridin-6-Amine
CID 90183483
N-[2-[(3r,4s)-3-Fluoranyl-4-Methoxy-Piperidin-1-Yl]pyrimidin-4-Yl]-2-Methyl-1-Propan-2-Yl-Imidazo[4,5-C]pyridin-6-Amine
CID 90183560
6-[1-[(2S)-1-methoxypropan-2-yl]-6-[(3S)-3-methylmorpholin-4-yl]imidazo[4,5-c]pyridin-2-yl]-3-methyl-N-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 118067807

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-methyl-5-piperazin-1-yl-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 1-(2-ethoxyethyl)-3-methyl-5-piperazin-1-yl-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine (CID 11682414) is 1-(2-ethoxyethyl)-3-methyl-5-piperazin-1-yl-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-methyl-5-piperazin-1-yl-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 1-(2-ethoxyethyl)-3-methyl-5-piperazin-1-yl-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine is CCOCCn1nc(C)c2nc(N3CCNCC3)nc(Nc3ccccn3)c21.
What is the InChIKey of 1-(2-ethoxyethyl)-3-methyl-5-piperazin-1-yl-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is ZHZMWQQYGLFACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8O/c1-3-28-13-12-27-17-16(14(2)25-27)23-19(26-10-8-20-9-11-26)24-18(17)22-15-6-4-5-7-21-15/h4-7,20H,3,8-13H2,1-2H3,(H,21,22,23,24).
What are the key properties of 1-(2-ethoxyethyl)-3-methyl-5-piperazin-1-yl-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine?
1-(2-ethoxyethyl)-3-methyl-5-piperazin-1-yl-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 382.47 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-methyl-5-piperazin-1-yl-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 11682414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).