propan-2-yl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

C14H19N3O2 — CID 55473328

IUPACpropan-2-yl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)OC(C)C
InChIInChI=1S/C14H19N3O2/c1-8(2)17-13-11(7-15-17)6-12(10(5)16-13)14(18)19-9(3)4/h6-9H,1-5H3
InChIKeyINNFEVAFWGEJOR-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.89
Rot. Bonds3

About propan-2-yl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate

propan-2-yl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 55473328) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is propan-2-yl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID55473328
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Namepropan-2-yl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)OC(C)C
InChIInChI=1S/C14H19N3O2/c1-8(2)17-13-11(7-15-17)6-12(10(5)16-13)14(18)19-9(3)4/h6-9H,1-5H3
InChIKeyINNFEVAFWGEJOR-UHFFFAOYSA-N
XLogP2.89
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of propan-2-yl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 55473328) is propan-2-yl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for propan-2-yl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for propan-2-yl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate is Cc1nc2c(cnn2C(C)C)cc1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is INNFEVAFWGEJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-8(2)17-13-11(7-15-17)6-12(10(5)16-13)14(18)19-9(3)4/h6-9H,1-5H3.
What are the key properties of propan-2-yl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate?
propan-2-yl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 261.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 55473328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).