2-methoxyethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride

C16H25ClN4O3 — CID 70481084

IUPAC2-methoxyethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride
SMILESCCCCCn1ncc2c(N)c(C(=O)OCCOC)c(C)nc21.Cl
InChIInChI=1S/C16H24N4O3.ClH/c1-4-5-6-7-20-15-12(10-18-20)14(17)13(11(2)19-15)16(21)23-9-8-22-3;/h10H,4-9H2,1-3H3,(H2,17,19);1H
InChIKeyVPKJQXZKIGAALS-UHFFFAOYSA-N
MW356.85 g/mol
LogP2.74
Rot. Bonds8

About 2-methoxyethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride

2-methoxyethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride (PubChem CID 70481084) has the molecular formula C16H25ClN4O3 and a molecular weight of 356.85 g/mol. Its IUPAC name is 2-methoxyethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride.

Molecular Properties

Compound Name2-methoxyethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride
PubChem CID70481084
Molecular FormulaC16H25ClN4O3
Molecular Weight356.85 g/mol
Exact Mass356.16
IUPAC Name2-methoxyethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride
SMILESCCCCCn1ncc2c(N)c(C(=O)OCCOC)c(C)nc21.Cl
InChIInChI=1S/C16H24N4O3.ClH/c1-4-5-6-7-20-15-12(10-18-20)14(17)13(11(2)19-15)16(21)23-9-8-22-3;/h10H,4-9H2,1-3H3,(H2,17,19);1H
InChIKeyVPKJQXZKIGAALS-UHFFFAOYSA-N
XLogP2.74
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 2-methoxyethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride?
The IUPAC name of 2-methoxyethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride (CID 70481084) is 2-methoxyethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride.
What is the SMILES notation for 2-methoxyethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride?
The canonical SMILES for 2-methoxyethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride is CCCCCn1ncc2c(N)c(C(=O)OCCOC)c(C)nc21.Cl.
What is the InChIKey of 2-methoxyethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride?
The InChIKey is VPKJQXZKIGAALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3.ClH/c1-4-5-6-7-20-15-12(10-18-20)14(17)13(11(2)19-15)16(21)23-9-8-22-3;/h10H,4-9H2,1-3H3,(H2,17,19);1H.
What are the key properties of 2-methoxyethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride?
2-methoxyethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride has a molecular weight of 356.85 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride is sourced from PubChem (CID 70481084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).