5-chloro-3-(methoxymethyl)-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine

C17H21ClN6O2 — CID 87799916

IUPAC5-chloro-3-(methoxymethyl)-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCCOCCn1nc(COC)c2nc(Cl)nc(Nc3ccccn3)c21
InChIInChI=1S/C17H21ClN6O2/c1-3-9-26-10-8-24-15-14(12(23-24)11-25-2)21-17(18)22-16(15)20-13-6-4-5-7-19-13/h4-7H,3,8-11H2,1-2H3,(H,19,20,21,22)
InChIKeyUKMFJXVAKZGDBR-UHFFFAOYSA-N
MW376.85 g/mol
LogP3.19
Rot. Bonds9

About 5-chloro-3-(methoxymethyl)-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine

5-chloro-3-(methoxymethyl)-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine (PubChem CID 87799916) has the molecular formula C17H21ClN6O2 and a molecular weight of 376.85 g/mol. Its IUPAC name is 5-chloro-3-(methoxymethyl)-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-chloro-3-(methoxymethyl)-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine
PubChem CID87799916
Molecular FormulaC17H21ClN6O2
Molecular Weight376.85 g/mol
Exact Mass376.14
IUPAC Name5-chloro-3-(methoxymethyl)-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine
SMILESCCCOCCn1nc(COC)c2nc(Cl)nc(Nc3ccccn3)c21
InChIInChI=1S/C17H21ClN6O2/c1-3-9-26-10-8-24-15-14(12(23-24)11-25-2)21-17(18)22-16(15)20-13-6-4-5-7-19-13/h4-7H,3,8-11H2,1-2H3,(H,19,20,21,22)
InChIKeyUKMFJXVAKZGDBR-UHFFFAOYSA-N
XLogP3.19
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(methoxymethyl)-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-chloro-3-(methoxymethyl)-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine (CID 87799916) is 5-chloro-3-(methoxymethyl)-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-chloro-3-(methoxymethyl)-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-chloro-3-(methoxymethyl)-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine is CCCOCCn1nc(COC)c2nc(Cl)nc(Nc3ccccn3)c21.
What is the InChIKey of 5-chloro-3-(methoxymethyl)-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is UKMFJXVAKZGDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN6O2/c1-3-9-26-10-8-24-15-14(12(23-24)11-25-2)21-17(18)22-16(15)20-13-6-4-5-7-19-13/h4-7H,3,8-11H2,1-2H3,(H,19,20,21,22).
What are the key properties of 5-chloro-3-(methoxymethyl)-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine?
5-chloro-3-(methoxymethyl)-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 376.85 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(methoxymethyl)-1-(2-propoxyethyl)-N-pyridin-2-ylpyrazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 87799916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).