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

C19H12F4N4 — CID 155389589

IUPAC6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESFc1cncc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)c1
InChIInChI=1S/C19H12F4N4/c20-14-3-11(6-24-8-14)10-27-18-5-13(7-25-17(18)9-26-27)12-1-2-16(21)15(4-12)19(22)23/h1-9,19H,10H2
InChIKeyNBTCGYOJFCFXGC-UHFFFAOYSA-N
MW372.33 g/mol
LogP4.76
Rot. Bonds4

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

6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155389589) has the molecular formula C19H12F4N4 and a molecular weight of 372.33 g/mol. Its IUPAC name is 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155389589
Molecular FormulaC19H12F4N4
Molecular Weight372.33 g/mol
Exact Mass372.10
IUPAC Name6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESFc1cncc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)c1
InChIInChI=1S/C19H12F4N4/c20-14-3-11(6-24-8-14)10-27-18-5-13(7-25-17(18)9-26-27)12-1-2-16(21)15(4-12)19(22)23/h1-9,19H,10H2
InChIKeyNBTCGYOJFCFXGC-UHFFFAOYSA-N
XLogP4.76
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.33
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (CID 155389589) is 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is Fc1cncc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)c1.
What is the InChIKey of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is NBTCGYOJFCFXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N4/c20-14-3-11(6-24-8-14)10-27-18-5-13(7-25-17(18)9-26-27)12-1-2-16(21)15(4-12)19(22)23/h1-9,19H,10H2.
What are the key properties of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine has a molecular weight of 372.33 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(5-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155389589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).