1-(2-ethoxyethyl)-3-ethyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine

C23H34N8O — CID 11647832

IUPAC1-(2-ethoxyethyl)-3-ethyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine
SMILESCCOCCn1nc(CC)c2nc(NC3CCN(C)CC3)nc(Nc3cc(C)ccn3)c21
InChIInChI=1S/C23H34N8O/c1-5-18-20-21(31(29-18)13-14-32-6-2)22(26-19-15-16(3)7-10-24-19)28-23(27-20)25-17-8-11-30(4)12-9-17/h7,10,15,17H,5-6,8-9,11-14H2,1-4H3,(H2,24,25,26,27,28)
InChIKeyMZMOWAKPUKLJGP-UHFFFAOYSA-N
MW438.58 g/mol
LogP3.38
Rot. Bonds9

About 1-(2-ethoxyethyl)-3-ethyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine

1-(2-ethoxyethyl)-3-ethyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine (PubChem CID 11647832) has the molecular formula C23H34N8O and a molecular weight of 438.58 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-3-ethyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-3-ethyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine
PubChem CID11647832
Molecular FormulaC23H34N8O
Molecular Weight438.58 g/mol
Exact Mass438.29
IUPAC Name1-(2-ethoxyethyl)-3-ethyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine
SMILESCCOCCn1nc(CC)c2nc(NC3CCN(C)CC3)nc(Nc3cc(C)ccn3)c21
InChIInChI=1S/C23H34N8O/c1-5-18-20-21(31(29-18)13-14-32-6-2)22(26-19-15-16(3)7-10-24-19)28-23(27-20)25-17-8-11-30(4)12-9-17/h7,10,15,17H,5-6,8-9,11-14H2,1-4H3,(H2,24,25,26,27,28)
InChIKeyMZMOWAKPUKLJGP-UHFFFAOYSA-N
XLogP3.38
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 53.38
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-ethyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine 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
Elimusertib
CID 118869362
Apy0201
CID 56927660
Jnj-42396302
CID 51352628
Bay-41-8543
CID 9953906
1-Methyl-3-{4-[4-morpholin-4-yl-1-(1-pyridin-3-ylmethyl-piperidin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-phenyl}-urea
CID 25260915
Pyrazolo pyrimidine, 24
CID 44233639
Flt3-IN-3
CID 133081975
4-Anilinopyrimido[5,4-d]pyrimidine deriv. 6g
CID 5328348
N2-trans-(4-Amino-cyclohexyl)-N6-(4-morpholin-4-ylmethyl-phenyl)-9-phenyl-9H-purine-2,6-diamine
CID 24762173
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-[5-(morpholin-4-yl)pyridin-3-yl]pyrimidin-4-yl]acetamide
CID 25074313

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-3-ethyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine?
The IUPAC name of 1-(2-ethoxyethyl)-3-ethyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine (CID 11647832) is 1-(2-ethoxyethyl)-3-ethyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine.
What is the SMILES notation for 1-(2-ethoxyethyl)-3-ethyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine?
The canonical SMILES for 1-(2-ethoxyethyl)-3-ethyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine is CCOCCn1nc(CC)c2nc(NC3CCN(C)CC3)nc(Nc3cc(C)ccn3)c21.
What is the InChIKey of 1-(2-ethoxyethyl)-3-ethyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine?
The InChIKey is MZMOWAKPUKLJGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N8O/c1-5-18-20-21(31(29-18)13-14-32-6-2)22(26-19-15-16(3)7-10-24-19)28-23(27-20)25-17-8-11-30(4)12-9-17/h7,10,15,17H,5-6,8-9,11-14H2,1-4H3,(H2,24,25,26,27,28).
What are the key properties of 1-(2-ethoxyethyl)-3-ethyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine?
1-(2-ethoxyethyl)-3-ethyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine has a molecular weight of 438.58 g/mol, XLogP of 3.38, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-3-ethyl-5-N-(1-methylpiperidin-4-yl)-7-N-(4-methyl-2-pyridinyl)pyrazolo[4,5-d]pyrimidine-5,7-diamine is sourced from PubChem (CID 11647832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).