1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine

C13H7F3IN3 — CID 66656029

IUPAC1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine
SMILESFc1ccc(Cn2nc(I)c3cc(F)cnc32)c(F)c1
InChIInChI=1S/C13H7F3IN3/c14-8-2-1-7(11(16)4-8)6-20-13-10(12(17)19-20)3-9(15)5-18-13/h1-5H,6H2
InChIKeySAYGWPKOAMPMKI-UHFFFAOYSA-N
MW389.12 g/mol
LogP3.50
Rot. Bonds2

About 1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine

1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine (PubChem CID 66656029) has the molecular formula C13H7F3IN3 and a molecular weight of 389.12 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine
PubChem CID66656029
Molecular FormulaC13H7F3IN3
Molecular Weight389.12 g/mol
Exact Mass388.96
IUPAC Name1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine
SMILESFc1ccc(Cn2nc(I)c3cc(F)cnc32)c(F)c1
InChIInChI=1S/C13H7F3IN3/c14-8-2-1-7(11(16)4-8)6-20-13-10(12(17)19-20)3-9(15)5-18-13/h1-5H,6H2
InChIKeySAYGWPKOAMPMKI-UHFFFAOYSA-N
XLogP3.50
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.12
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-3-iodo-1-(pyrimidin-5-ylmethyl)pyrazolo[5,4-b]pyridine
CID 71187326
5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-amine
CID 168870637
2-[1-[(2,4-difluorophenyl)methyl]-5-fluoropyrazolo[5,4-b]pyridin-3-yl]spiro[7H-pyrrolo[2,3-d]pyrimidine-5,3'-oxolane]-6-one
CID 56598507
5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboximidamide;hydrochloride
CID 86686151
2-[1-[(2,4-difluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]spiro[7H-pyrrolo[2,3-d]pyrimidine-5,1'-cyclopropane]-6-one
CID 56597208
1-[(3,5-difluoro-4-pyridinyl)methyl]-5-fluoro-3-methylpyrazolo[5,4-b]pyridine
CID 130348871
5-fluoro-3-iodo-1-tritylpyrazolo[5,4-b]pyridine
CID 176620839
2-[(2,4-difluorophenyl)methyl]-1H-1,2,4-triazole-5-thione
CID 125478207
propyl 5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylate
CID 56849012
2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5-N-methylpyrimidine-4,5,6-triamine
CID 134313590
1-[(2,4-difluorophenyl)methyl]tetrazol-5-amine
CID 79506611
1-[(2,4-difluorophenyl)methyl]-4-methylimidazole
CID 130254978

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine (CID 66656029) is 1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine is Fc1ccc(Cn2nc(I)c3cc(F)cnc32)c(F)c1.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine?
The InChIKey is SAYGWPKOAMPMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3IN3/c14-8-2-1-7(11(16)4-8)6-20-13-10(12(17)19-20)3-9(15)5-18-13/h1-5H,6H2.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine?
1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine has a molecular weight of 389.12 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-5-fluoro-3-iodopyrazolo[5,4-b]pyridine is sourced from PubChem (CID 66656029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).