3-(2,5-difluoro-4-pyridinyl)-6-(fluoromethyl)-2-(5-fluoro-2-pyridinyl)-6-methyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridine

C19H16F4N4 — CID 162760667

IUPAC3-(2,5-difluoro-4-pyridinyl)-6-(fluoromethyl)-2-(5-fluoro-2-pyridinyl)-6-methyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridine
SMILESCC1(CF)CCc2c(-c3cc(F)ncc3F)c(-c3ccc(F)cn3)nn2C1
InChIInChI=1S/C19H16F4N4/c1-19(9-20)5-4-15-17(12-6-16(23)25-8-13(12)22)18(26-27(15)10-19)14-3-2-11(21)7-24-14/h2-3,6-8H,4-5,9-10H2,1H3
InChIKeyHOQWIVCGNVVBBT-UHFFFAOYSA-N
MW376.36 g/mol
LogP4.35
Rot. Bonds3

About 3-(2,5-difluoro-4-pyridinyl)-6-(fluoromethyl)-2-(5-fluoro-2-pyridinyl)-6-methyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridine

3-(2,5-difluoro-4-pyridinyl)-6-(fluoromethyl)-2-(5-fluoro-2-pyridinyl)-6-methyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridine (PubChem CID 162760667) has the molecular formula C19H16F4N4 and a molecular weight of 376.36 g/mol. Its IUPAC name is 3-(2,5-difluoro-4-pyridinyl)-6-(fluoromethyl)-2-(5-fluoro-2-pyridinyl)-6-methyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-(2,5-difluoro-4-pyridinyl)-6-(fluoromethyl)-2-(5-fluoro-2-pyridinyl)-6-methyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridine
PubChem CID162760667
Molecular FormulaC19H16F4N4
Molecular Weight376.36 g/mol
Exact Mass376.13
IUPAC Name3-(2,5-difluoro-4-pyridinyl)-6-(fluoromethyl)-2-(5-fluoro-2-pyridinyl)-6-methyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridine
SMILESCC1(CF)CCc2c(-c3cc(F)ncc3F)c(-c3ccc(F)cn3)nn2C1
InChIInChI=1S/C19H16F4N4/c1-19(9-20)5-4-15-17(12-6-16(23)25-8-13(12)22)18(26-27(15)10-19)14-3-2-11(21)7-24-14/h2-3,6-8H,4-5,9-10H2,1H3
InChIKeyHOQWIVCGNVVBBT-UHFFFAOYSA-N
XLogP4.35
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 54.35
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 3-(2,5-difluoro-4-pyridinyl)-6-(fluoromethyl)-2-(5-fluoro-2-pyridinyl)-6-methyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-(2,5-difluoro-4-pyridinyl)-6-(fluoromethyl)-2-(5-fluoro-2-pyridinyl)-6-methyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridine (CID 162760667) is 3-(2,5-difluoro-4-pyridinyl)-6-(fluoromethyl)-2-(5-fluoro-2-pyridinyl)-6-methyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-(2,5-difluoro-4-pyridinyl)-6-(fluoromethyl)-2-(5-fluoro-2-pyridinyl)-6-methyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-(2,5-difluoro-4-pyridinyl)-6-(fluoromethyl)-2-(5-fluoro-2-pyridinyl)-6-methyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridine is CC1(CF)CCc2c(-c3cc(F)ncc3F)c(-c3ccc(F)cn3)nn2C1.
What is the InChIKey of 3-(2,5-difluoro-4-pyridinyl)-6-(fluoromethyl)-2-(5-fluoro-2-pyridinyl)-6-methyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridine?
The InChIKey is HOQWIVCGNVVBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F4N4/c1-19(9-20)5-4-15-17(12-6-16(23)25-8-13(12)22)18(26-27(15)10-19)14-3-2-11(21)7-24-14/h2-3,6-8H,4-5,9-10H2,1H3.
What are the key properties of 3-(2,5-difluoro-4-pyridinyl)-6-(fluoromethyl)-2-(5-fluoro-2-pyridinyl)-6-methyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridine?
3-(2,5-difluoro-4-pyridinyl)-6-(fluoromethyl)-2-(5-fluoro-2-pyridinyl)-6-methyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridine has a molecular weight of 376.36 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluoro-4-pyridinyl)-6-(fluoromethyl)-2-(5-fluoro-2-pyridinyl)-6-methyl-5,7-dihydro-4H-pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 162760667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).