4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine

C16H15F2N5 — CID 126800693

IUPAC4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
SMILESFc1cccc(F)c1-c1[nH]ncc1CN1CCCc2[nH]ncc21
InChIInChI=1S/C16H15F2N5/c17-11-3-1-4-12(18)15(11)16-10(7-19-22-16)9-23-6-2-5-13-14(23)8-20-21-13/h1,3-4,7-8H,2,5-6,9H2,(H,19,22)(H,20,21)
InChIKeyTYBZCNDGMAYYLJ-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.03
Rot. Bonds3

About 4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine

4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine (PubChem CID 126800693) has the molecular formula C16H15F2N5 and a molecular weight of 315.33 g/mol. Its IUPAC name is 4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
PubChem CID126800693
Molecular FormulaC16H15F2N5
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC Name4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine
SMILESFc1cccc(F)c1-c1[nH]ncc1CN1CCCc2[nH]ncc21
InChIInChI=1S/C16H15F2N5/c17-11-3-1-4-12(18)15(11)16-10(7-19-22-16)9-23-6-2-5-13-14(23)8-20-21-13/h1,3-4,7-8H,2,5-6,9H2,(H,19,22)(H,20,21)
InChIKeyTYBZCNDGMAYYLJ-UHFFFAOYSA-N
XLogP3.03
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
The IUPAC name of 4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine (CID 126800693) is 4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine.
What is the SMILES notation for 4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
The canonical SMILES for 4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine is Fc1cccc(F)c1-c1[nH]ncc1CN1CCCc2[nH]ncc21.
What is the InChIKey of 4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
The InChIKey is TYBZCNDGMAYYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5/c17-11-3-1-4-12(18)15(11)16-10(7-19-22-16)9-23-6-2-5-13-14(23)8-20-21-13/h1,3-4,7-8H,2,5-6,9H2,(H,19,22)(H,20,21).
What are the key properties of 4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine?
4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine has a molecular weight of 315.33 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2,6-difluorophenyl)-1H-pyrazol-4-yl]methyl]-1,5,6,7-tetrahydropyrazolo[4,5-b]pyridine is sourced from PubChem (CID 126800693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).