cyclopropylmethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate

C17H24N4O2 — CID 10064358

IUPACcyclopropylmethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCCCCn1ncc2c(N)c(C(=O)OCC3CC3)c(C)nc21
InChIInChI=1S/C17H24N4O2/c1-3-4-5-8-21-16-13(9-19-21)15(18)14(11(2)20-16)17(22)23-10-12-6-7-12/h9,12H,3-8,10H2,1-2H3,(H2,18,20)
InChIKeyCQGVFFQWGRFXAQ-UHFFFAOYSA-N
MW316.41 g/mol
LogP3.08
Rot. Bonds7

About cyclopropylmethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate

cyclopropylmethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 10064358) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is cyclopropylmethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namecyclopropylmethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID10064358
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Namecyclopropylmethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCCCCn1ncc2c(N)c(C(=O)OCC3CC3)c(C)nc21
InChIInChI=1S/C17H24N4O2/c1-3-4-5-8-21-16-13(9-19-21)15(18)14(11(2)20-16)17(22)23-10-12-6-7-12/h9,12H,3-8,10H2,1-2H3,(H2,18,20)
InChIKeyCQGVFFQWGRFXAQ-UHFFFAOYSA-N
XLogP3.08
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 cyclopropylmethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of cyclopropylmethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 10064358) is cyclopropylmethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for cyclopropylmethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for cyclopropylmethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate is CCCCCn1ncc2c(N)c(C(=O)OCC3CC3)c(C)nc21.
What is the InChIKey of cyclopropylmethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is CQGVFFQWGRFXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-3-4-5-8-21-16-13(9-19-21)15(18)14(11(2)20-16)17(22)23-10-12-6-7-12/h9,12H,3-8,10H2,1-2H3,(H2,18,20).
What are the key properties of cyclopropylmethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate?
cyclopropylmethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 316.41 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 10064358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).