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

C19H12F4N4 — CID 155389084

IUPAC6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESFc1ccc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)cn1
InChIInChI=1S/C19H12F4N4/c20-15-3-2-12(5-14(15)19(22)23)13-6-17-16(24-8-13)9-26-27(17)10-11-1-4-18(21)25-7-11/h1-9,19H,10H2
InChIKeyDYSFGTXMTFAFKK-UHFFFAOYSA-N
MW372.33 g/mol
LogP4.76
Rot. Bonds4

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

6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (PubChem CID 155389084) has the molecular formula C19H12F4N4 and a molecular weight of 372.33 g/mol. Its IUPAC name is 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
PubChem CID155389084
Molecular FormulaC19H12F4N4
Molecular Weight372.33 g/mol
Exact Mass372.10
IUPAC Name6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine
SMILESFc1ccc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)cn1
InChIInChI=1S/C19H12F4N4/c20-15-3-2-12(5-14(15)19(22)23)13-6-17-16(24-8-13)9-26-27(17)10-11-1-4-18(21)25-7-11/h1-9,19H,10H2
InChIKeyDYSFGTXMTFAFKK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine (CID 155389084) is 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is Fc1ccc(Cn2ncc3ncc(-c4ccc(F)c(C(F)F)c4)cc32)cn1.
What is the InChIKey of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
The InChIKey is DYSFGTXMTFAFKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4N4/c20-15-3-2-12(5-14(15)19(22)23)13-6-17-16(24-8-13)9-26-27(17)10-11-1-4-18(21)25-7-11/h1-9,19H,10H2.
What are the key properties of 6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine?
6-[3-(difluoromethyl)-4-fluorophenyl]-1-[(6-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-[(6-fluoro-3-pyridinyl)methyl]pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155389084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).