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

C19H26N8O — CID 69369444

IUPAC1-(2-ethoxyethyl)-N-(5-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCOCCn1ncc2nc(N3CCNCC3)nc(Nc3ccc(C)cn3)c21
InChIInChI=1S/C19H26N8O/c1-3-28-11-10-27-17-15(13-22-27)23-19(26-8-6-20-7-9-26)25-18(17)24-16-5-4-14(2)12-21-16/h4-5,12-13,20H,3,6-11H2,1-2H3,(H,21,23,24,25)
InChIKeyVYSVLXFULXCQIO-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.72
Rot. Bonds7

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

1-(2-ethoxyethyl)-N-(5-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 69369444) has the molecular formula C19H26N8O and a molecular weight of 382.47 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-N-(5-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-N-(5-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID69369444
Molecular FormulaC19H26N8O
Molecular Weight382.47 g/mol
Exact Mass382.22
IUPAC Name1-(2-ethoxyethyl)-N-(5-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCOCCn1ncc2nc(N3CCNCC3)nc(Nc3ccc(C)cn3)c21
InChIInChI=1S/C19H26N8O/c1-3-28-11-10-27-17-15(13-22-27)23-19(26-8-6-20-7-9-26)25-18(17)24-16-5-4-14(2)12-21-16/h4-5,12-13,20H,3,6-11H2,1-2H3,(H,21,23,24,25)
InChIKeyVYSVLXFULXCQIO-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)-N-(5-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine with MolForge

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Related Compounds

1-(2-ethoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 69368950
(3S)-N-[1-(2-ethoxyethyl)-7-[(5-methyl-2-pyridinyl)amino]pyrazolo[4,5-d]pyrimidin-5-yl]pyrrolidine-3-carboxamide
CID 69369778
5-(1,4-diazepan-1-yl)-N-pyrimidin-4-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,5-d]pyrimidin-7-amine
CID 69370851
1-(2-ethoxyethyl)-3-methyl-N-(4-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 46888542
(3S)-1-[1-(2-ethoxyethyl)-7-(pyrimidin-4-ylamino)pyrazolo[4,5-d]pyrimidin-5-yl]piperidine-3-carboxylic acid
CID 69369682
1-(2-ethoxyethyl)-3-(methoxymethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 58935609
1-(2-ethoxyethyl)-3-(2-methoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 70323708
(3R)-1-[1-(2-ethoxyethyl)-7-[(5-methyl-2-pyridinyl)amino]-3-propan-2-ylpyrazolo[4,5-d]pyrimidin-5-yl]pyrrolidine-3-carboxamide
CID 69369812
5-[(3S)-3-ethylpiperazin-1-yl]-3-methyl-N-(5-methyl-2-pyridinyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazolo[4,5-d]pyrimidin-7-amine
CID 91396466
3-[2-(cyclopropylmethoxy)ethyl]-1-(2-ethoxyethyl)-5-piperazin-1-yl-N-pyrimidin-4-ylpyrazolo[4,5-d]pyrimidin-7-amine
CID 70323709
5-chloro-1-(2-ethoxyethyl)-N-(6-methylpyrimidin-4-yl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 88587082
5-(1,4-diazepan-1-yl)-1-(2-ethoxyethyl)-3-ethyl-N-(4-fluorophenyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 11510177

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-N-(5-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 1-(2-ethoxyethyl)-N-(5-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine (CID 69369444) is 1-(2-ethoxyethyl)-N-(5-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 1-(2-ethoxyethyl)-N-(5-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 1-(2-ethoxyethyl)-N-(5-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine is CCOCCn1ncc2nc(N3CCNCC3)nc(Nc3ccc(C)cn3)c21.
What is the InChIKey of 1-(2-ethoxyethyl)-N-(5-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is VYSVLXFULXCQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8O/c1-3-28-11-10-27-17-15(13-22-27)23-19(26-8-6-20-7-9-26)25-18(17)24-16-5-4-14(2)12-21-16/h4-5,12-13,20H,3,6-11H2,1-2H3,(H,21,23,24,25).
What are the key properties of 1-(2-ethoxyethyl)-N-(5-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine?
1-(2-ethoxyethyl)-N-(5-methyl-2-pyridinyl)-5-piperazin-1-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)-N-(5-methyl-2-pyridinyl)-5-piperazin-1-ylpyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 69369444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).