1-(2,2-difluorocyclopropyl)pyrazolo[3,4-b]pyridin-5-amine

C9H8F2N4 — CID 68640444

IUPAC1-(2,2-difluorocyclopropyl)pyrazolo[3,4-b]pyridin-5-amine
SMILESNc1cnc2c(cnn2C2CC2(F)F)c1
InChIInChI=1S/C9H8F2N4/c10-9(11)2-7(9)15-8-5(3-14-15)1-6(12)4-13-8/h1,3-4,7H,2,12H2
InChIKeyQTMLYXWIPMFHLE-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.59
Rot. Bonds1

About 1-(2,2-difluorocyclopropyl)pyrazolo[3,4-b]pyridin-5-amine

1-(2,2-difluorocyclopropyl)pyrazolo[3,4-b]pyridin-5-amine (PubChem CID 68640444) has the molecular formula C9H8F2N4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 1-(2,2-difluorocyclopropyl)pyrazolo[3,4-b]pyridin-5-amine.

Molecular Properties

Compound Name1-(2,2-difluorocyclopropyl)pyrazolo[3,4-b]pyridin-5-amine
PubChem CID68640444
Molecular FormulaC9H8F2N4
Molecular Weight210.19 g/mol
Exact Mass210.07
IUPAC Name1-(2,2-difluorocyclopropyl)pyrazolo[3,4-b]pyridin-5-amine
SMILESNc1cnc2c(cnn2C2CC2(F)F)c1
InChIInChI=1S/C9H8F2N4/c10-9(11)2-7(9)15-8-5(3-14-15)1-6(12)4-13-8/h1,3-4,7H,2,12H2
InChIKeyQTMLYXWIPMFHLE-UHFFFAOYSA-N
XLogP1.59
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluorocyclopropyl)pyrazolo[3,4-b]pyridin-5-amine?
The IUPAC name of 1-(2,2-difluorocyclopropyl)pyrazolo[3,4-b]pyridin-5-amine (CID 68640444) is 1-(2,2-difluorocyclopropyl)pyrazolo[3,4-b]pyridin-5-amine.
What is the SMILES notation for 1-(2,2-difluorocyclopropyl)pyrazolo[3,4-b]pyridin-5-amine?
The canonical SMILES for 1-(2,2-difluorocyclopropyl)pyrazolo[3,4-b]pyridin-5-amine is Nc1cnc2c(cnn2C2CC2(F)F)c1.
What is the InChIKey of 1-(2,2-difluorocyclopropyl)pyrazolo[3,4-b]pyridin-5-amine?
The InChIKey is QTMLYXWIPMFHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4/c10-9(11)2-7(9)15-8-5(3-14-15)1-6(12)4-13-8/h1,3-4,7H,2,12H2.
What are the key properties of 1-(2,2-difluorocyclopropyl)pyrazolo[3,4-b]pyridin-5-amine?
1-(2,2-difluorocyclopropyl)pyrazolo[3,4-b]pyridin-5-amine has a molecular weight of 210.19 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluorocyclopropyl)pyrazolo[3,4-b]pyridin-5-amine is sourced from PubChem (CID 68640444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).