1-(2,2-difluoroethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine

C12H15F2N3 — CID 176613571

IUPAC1-(2,2-difluoroethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine
SMILESCc1nn(CC(F)F)c2nc(C(C)C)ccc12
InChIInChI=1S/C12H15F2N3/c1-7(2)10-5-4-9-8(3)16-17(6-11(13)14)12(9)15-10/h4-5,7,11H,6H2,1-3H3
InChIKeyHAUBUGXCNRDSQH-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.13
Rot. Bonds3

About 1-(2,2-difluoroethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine

1-(2,2-difluoroethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine (PubChem CID 176613571) has the molecular formula C12H15F2N3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine
PubChem CID176613571
Molecular FormulaC12H15F2N3
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name1-(2,2-difluoroethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine
SMILESCc1nn(CC(F)F)c2nc(C(C)C)ccc12
InChIInChI=1S/C12H15F2N3/c1-7(2)10-5-4-9-8(3)16-17(6-11(13)14)12(9)15-10/h4-5,7,11H,6H2,1-3H3
InChIKeyHAUBUGXCNRDSQH-UHFFFAOYSA-N
XLogP3.13
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine?
The IUPAC name of 1-(2,2-difluoroethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine (CID 176613571) is 1-(2,2-difluoroethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine is Cc1nn(CC(F)F)c2nc(C(C)C)ccc12.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine?
The InChIKey is HAUBUGXCNRDSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3/c1-7(2)10-5-4-9-8(3)16-17(6-11(13)14)12(9)15-10/h4-5,7,11H,6H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine?
1-(2,2-difluoroethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine has a molecular weight of 239.27 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 176613571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).