6-(3-chloro-4-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine

C18H11ClF2N4 — CID 155400004

IUPAC6-(3-chloro-4-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESFc1cncc(Cn2ncc3ncc(-c4ccc(F)c(Cl)c4)cc32)c1
InChIInChI=1S/C18H11ClF2N4/c19-15-4-12(1-2-16(15)21)13-5-18-17(23-7-13)9-24-25(18)10-11-3-14(20)8-22-6-11/h1-9H,10H2
InChIKeyYOEBHXAPPNTAQD-UHFFFAOYSA-N
MW356.76 g/mol
LogP4.47
Rot. Bonds3

About 6-(3-chloro-4-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine

6-(3-chloro-4-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155400004) has the molecular formula C18H11ClF2N4 and a molecular weight of 356.76 g/mol. Its IUPAC name is 6-(3-chloro-4-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(3-chloro-4-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155400004
Molecular FormulaC18H11ClF2N4
Molecular Weight356.76 g/mol
Exact Mass356.06
IUPAC Name6-(3-chloro-4-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESFc1cncc(Cn2ncc3ncc(-c4ccc(F)c(Cl)c4)cc32)c1
InChIInChI=1S/C18H11ClF2N4/c19-15-4-12(1-2-16(15)21)13-5-18-17(23-7-13)9-24-25(18)10-11-3-14(20)8-22-6-11/h1-9H,10H2
InChIKeyYOEBHXAPPNTAQD-UHFFFAOYSA-N
XLogP4.47
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.76
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-4-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-(3-chloro-4-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (CID 155400004) is 6-(3-chloro-4-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(3-chloro-4-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-(3-chloro-4-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is Fc1cncc(Cn2ncc3ncc(-c4ccc(F)c(Cl)c4)cc32)c1.
What is the InChIKey of 6-(3-chloro-4-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is YOEBHXAPPNTAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF2N4/c19-15-4-12(1-2-16(15)21)13-5-18-17(23-7-13)9-24-25(18)10-11-3-14(20)8-22-6-11/h1-9H,10H2.
What are the key properties of 6-(3-chloro-4-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
6-(3-chloro-4-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 356.76 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloro-4-fluorophenyl)-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155400004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).