5-[2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[5,4-b]pyridine

C14H11F2N3 — CID 141338732

IUPAC5-[2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[5,4-b]pyridine
SMILESFc1cc(F)cc(CCc2cnc3[nH]ncc3c2)c1
InChIInChI=1S/C14H11F2N3/c15-12-4-9(5-13(16)6-12)1-2-10-3-11-8-18-19-14(11)17-7-10/h3-8H,1-2H2,(H,17,18,19)
InChIKeyLGAVNBDRBPOXFU-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.02
Rot. Bonds3

About 5-[2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[5,4-b]pyridine

5-[2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[5,4-b]pyridine (PubChem CID 141338732) has the molecular formula C14H11F2N3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 5-[2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name5-[2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[5,4-b]pyridine
PubChem CID141338732
Molecular FormulaC14H11F2N3
Molecular Weight259.26 g/mol
Exact Mass259.09
IUPAC Name5-[2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[5,4-b]pyridine
SMILESFc1cc(F)cc(CCc2cnc3[nH]ncc3c2)c1
InChIInChI=1S/C14H11F2N3/c15-12-4-9(5-13(16)6-12)1-2-10-3-11-8-18-19-14(11)17-7-10/h3-8H,1-2H2,(H,17,18,19)
InChIKeyLGAVNBDRBPOXFU-UHFFFAOYSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1H-pyrazolo[5,4-b]pyridin-5-ylmethanamine
CID 69178714
ethane;5-ethyl-1H-pyrazolo[5,4-b]pyridine
CID 176692042
5-(methoxymethyl)-1H-pyrazolo[5,4-b]pyridine
CID 67031148
3-[4-(3-fluoro-5-methylphenyl)sulfonylphenyl]-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propan-1-one
CID 159840003
3-amino-1-(1H-pyrazolo[3,4-b]pyridin-5-yl)propane-1,2-diol
CID 170828207
N-[[5-(3,5-difluorophenyl)sulfonyl-2-pyridinyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 71727926
1,3-difluoro-5-(2-phenylethyl)benzene
CID 90780533
2-N-[2-(3,5-difluorophenyl)ethyl]pyrimidine-2,5-diamine
CID 55093624
2-(3,5-difluorophenyl)-N-[(6-methyl-3-pyridinyl)methyl]ethanamine
CID 104751434
N-tert-butyl-1H-pyrazolo[3,4-b]pyridin-5-amine
CID 146426856
5-fluoro-6-methyl-1H-pyrazolo[3,4-b]pyridine
CID 123691976
N-[2-(3,5-difluorophenyl)ethyl]-1H-imidazol-2-amine
CID 106570305

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[5,4-b]pyridine?
The IUPAC name of 5-[2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[5,4-b]pyridine (CID 141338732) is 5-[2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 5-[2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[5,4-b]pyridine?
The canonical SMILES for 5-[2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[5,4-b]pyridine is Fc1cc(F)cc(CCc2cnc3[nH]ncc3c2)c1.
What is the InChIKey of 5-[2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[5,4-b]pyridine?
The InChIKey is LGAVNBDRBPOXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3/c15-12-4-9(5-13(16)6-12)1-2-10-3-11-8-18-19-14(11)17-7-10/h3-8H,1-2H2,(H,17,18,19).
What are the key properties of 5-[2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[5,4-b]pyridine?
5-[2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[5,4-b]pyridine has a molecular weight of 259.26 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-difluorophenyl)ethyl]-1H-pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 141338732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).