5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine

C11H7F3N6 — CID 167867015

IUPAC5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(-c2cnc3[nH]ncc3c2)c(C(F)(F)F)n1
InChIInChI=1S/C11H7F3N6/c12-11(13,14)8-7(4-17-10(15)19-8)5-1-6-3-18-20-9(6)16-2-5/h1-4H,(H2,15,17,19)(H,16,18,20)
InChIKeyTVHHYAUKHJEWDL-UHFFFAOYSA-N
MW280.21 g/mol
LogP2.02
Rot. Bonds1

About 5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine

5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 167867015) has the molecular formula C11H7F3N6 and a molecular weight of 280.21 g/mol. Its IUPAC name is 5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID167867015
Molecular FormulaC11H7F3N6
Molecular Weight280.21 g/mol
Exact Mass280.07
IUPAC Name5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1ncc(-c2cnc3[nH]ncc3c2)c(C(F)(F)F)n1
InChIInChI=1S/C11H7F3N6/c12-11(13,14)8-7(4-17-10(15)19-8)5-1-6-3-18-20-9(6)16-2-5/h1-4H,(H2,15,17,19)(H,16,18,20)
InChIKeyTVHHYAUKHJEWDL-UHFFFAOYSA-N
XLogP2.02
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine (CID 167867015) is 5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine is Nc1ncc(-c2cnc3[nH]ncc3c2)c(C(F)(F)F)n1.
What is the InChIKey of 5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is TVHHYAUKHJEWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N6/c12-11(13,14)8-7(4-17-10(15)19-8)5-1-6-3-18-20-9(6)16-2-5/h1-4H,(H2,15,17,19)(H,16,18,20).
What are the key properties of 5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine?
5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 280.21 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 167867015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).