6-cyclopropyl-4-(difluoromethyl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine

C19H18F3N3 — CID 44823468

IUPAC6-cyclopropyl-4-(difluoromethyl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine
SMILESCC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(C(F)F)c12
InChIInChI=1S/C19H18F3N3/c1-10(2)17-16-14(18(21)22)9-15(11-3-4-11)23-19(16)25(24-17)13-7-5-12(20)6-8-13/h5-11,18H,3-4H2,1-2H3
InChIKeyJSDYEISFZHSRQI-UHFFFAOYSA-N
MW345.37 g/mol
LogP5.50
Rot. Bonds4

About 6-cyclopropyl-4-(difluoromethyl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine

6-cyclopropyl-4-(difluoromethyl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine (PubChem CID 44823468) has the molecular formula C19H18F3N3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 6-cyclopropyl-4-(difluoromethyl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-cyclopropyl-4-(difluoromethyl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine
PubChem CID44823468
Molecular FormulaC19H18F3N3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name6-cyclopropyl-4-(difluoromethyl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine
SMILESCC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(C(F)F)c12
InChIInChI=1S/C19H18F3N3/c1-10(2)17-16-14(18(21)22)9-15(11-3-4-11)23-19(16)25(24-17)13-7-5-12(20)6-8-13/h5-11,18H,3-4H2,1-2H3
InChIKeyJSDYEISFZHSRQI-UHFFFAOYSA-N
XLogP5.50
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.37
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-4-(difluoromethyl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine?
The IUPAC name of 6-cyclopropyl-4-(difluoromethyl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine (CID 44823468) is 6-cyclopropyl-4-(difluoromethyl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-cyclopropyl-4-(difluoromethyl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-cyclopropyl-4-(difluoromethyl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine is CC(C)c1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(C(F)F)c12.
What is the InChIKey of 6-cyclopropyl-4-(difluoromethyl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine?
The InChIKey is JSDYEISFZHSRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3/c1-10(2)17-16-14(18(21)22)9-15(11-3-4-11)23-19(16)25(24-17)13-7-5-12(20)6-8-13/h5-11,18H,3-4H2,1-2H3.
What are the key properties of 6-cyclopropyl-4-(difluoromethyl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine?
6-cyclopropyl-4-(difluoromethyl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine has a molecular weight of 345.37 g/mol, XLogP of 5.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-4-(difluoromethyl)-1-(4-fluorophenyl)-3-propan-2-ylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 44823468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).