3-(1-tert-butylpyrazol-4-yl)-5-(2,6-difluorophenyl)-1H-pyrazolo[3,4-c]pyridine

C19H17F2N5 — CID 167319699

IUPAC3-(1-tert-butylpyrazol-4-yl)-5-(2,6-difluorophenyl)-1H-pyrazolo[3,4-c]pyridine
SMILESCC(C)(C)n1cc(-c2n[nH]c3cnc(-c4c(F)cccc4F)cc23)cn1
InChIInChI=1S/C19H17F2N5/c1-19(2,3)26-10-11(8-23-26)18-12-7-15(22-9-16(12)24-25-18)17-13(20)5-4-6-14(17)21/h4-10H,1-3H3,(H,24,25)
InChIKeyVCLOMMFEPRTCNA-UHFFFAOYSA-N
MW353.38 g/mol
LogP4.52
Rot. Bonds2

About 3-(1-tert-butylpyrazol-4-yl)-5-(2,6-difluorophenyl)-1H-pyrazolo[3,4-c]pyridine

3-(1-tert-butylpyrazol-4-yl)-5-(2,6-difluorophenyl)-1H-pyrazolo[3,4-c]pyridine (PubChem CID 167319699) has the molecular formula C19H17F2N5 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-(1-tert-butylpyrazol-4-yl)-5-(2,6-difluorophenyl)-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name3-(1-tert-butylpyrazol-4-yl)-5-(2,6-difluorophenyl)-1H-pyrazolo[3,4-c]pyridine
PubChem CID167319699
Molecular FormulaC19H17F2N5
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name3-(1-tert-butylpyrazol-4-yl)-5-(2,6-difluorophenyl)-1H-pyrazolo[3,4-c]pyridine
SMILESCC(C)(C)n1cc(-c2n[nH]c3cnc(-c4c(F)cccc4F)cc23)cn1
InChIInChI=1S/C19H17F2N5/c1-19(2,3)26-10-11(8-23-26)18-12-7-15(22-9-16(12)24-25-18)17-13(20)5-4-6-14(17)21/h4-10H,1-3H3,(H,24,25)
InChIKeyVCLOMMFEPRTCNA-UHFFFAOYSA-N
XLogP4.52
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butylpyrazol-4-yl)-5-(2,6-difluorophenyl)-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 3-(1-tert-butylpyrazol-4-yl)-5-(2,6-difluorophenyl)-1H-pyrazolo[3,4-c]pyridine (CID 167319699) is 3-(1-tert-butylpyrazol-4-yl)-5-(2,6-difluorophenyl)-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 3-(1-tert-butylpyrazol-4-yl)-5-(2,6-difluorophenyl)-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 3-(1-tert-butylpyrazol-4-yl)-5-(2,6-difluorophenyl)-1H-pyrazolo[3,4-c]pyridine is CC(C)(C)n1cc(-c2n[nH]c3cnc(-c4c(F)cccc4F)cc23)cn1.
What is the InChIKey of 3-(1-tert-butylpyrazol-4-yl)-5-(2,6-difluorophenyl)-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is VCLOMMFEPRTCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N5/c1-19(2,3)26-10-11(8-23-26)18-12-7-15(22-9-16(12)24-25-18)17-13(20)5-4-6-14(17)21/h4-10H,1-3H3,(H,24,25).
What are the key properties of 3-(1-tert-butylpyrazol-4-yl)-5-(2,6-difluorophenyl)-1H-pyrazolo[3,4-c]pyridine?
3-(1-tert-butylpyrazol-4-yl)-5-(2,6-difluorophenyl)-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 353.38 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butylpyrazol-4-yl)-5-(2,6-difluorophenyl)-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 167319699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).