5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine

C15H15F3N6 — CID 166876564

IUPAC5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine
SMILESFC(F)Cn1ccc(-c2cnc3[nH]nc(N4CC[C@H](F)C4)c3c2)n1
InChIInChI=1S/C15H15F3N6/c16-10-1-3-23(7-10)15-11-5-9(6-19-14(11)20-21-15)12-2-4-24(22-12)8-13(17)18/h2,4-6,10,13H,1,3,7-8H2,(H,19,20,21)/t10-/m0/s1
InChIKeyUKPKOYYZIAEQRN-JTQLQIEISA-N
MW336.32 g/mol
LogP2.63
Rot. Bonds4

About 5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine

5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine (PubChem CID 166876564) has the molecular formula C15H15F3N6 and a molecular weight of 336.32 g/mol. Its IUPAC name is 5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine
PubChem CID166876564
Molecular FormulaC15H15F3N6
Molecular Weight336.32 g/mol
Exact Mass336.13
IUPAC Name5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine
SMILESFC(F)Cn1ccc(-c2cnc3[nH]nc(N4CC[C@H](F)C4)c3c2)n1
InChIInChI=1S/C15H15F3N6/c16-10-1-3-23(7-10)15-11-5-9(6-19-14(11)20-21-15)12-2-4-24(22-12)8-13(17)18/h2,4-6,10,13H,1,3,7-8H2,(H,19,20,21)/t10-/m0/s1
InChIKeyUKPKOYYZIAEQRN-JTQLQIEISA-N
XLogP2.63
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine?
The IUPAC name of 5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine (CID 166876564) is 5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine?
The canonical SMILES for 5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine is FC(F)Cn1ccc(-c2cnc3[nH]nc(N4CC[C@H](F)C4)c3c2)n1.
What is the InChIKey of 5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine?
The InChIKey is UKPKOYYZIAEQRN-JTQLQIEISA-N. The full InChI is InChI=1S/C15H15F3N6/c16-10-1-3-23(7-10)15-11-5-9(6-19-14(11)20-21-15)12-2-4-24(22-12)8-13(17)18/h2,4-6,10,13H,1,3,7-8H2,(H,19,20,21)/t10-/m0/s1.
What are the key properties of 5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine?
5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine has a molecular weight of 336.32 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,2-difluoroethyl)pyrazol-3-yl]-3-[(3S)-3-fluoropyrrolidin-1-yl]-1H-pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 166876564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).