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

C20H13F4N3 — CID 29096043

IUPAC4-(difluoromethyl)-1-(2-fluorophenyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccccc2F)c2nc(-c3ccc(F)cc3)cc(C(F)F)c12
InChIInChI=1S/C20H13F4N3/c1-11-18-14(19(23)24)10-16(12-6-8-13(21)9-7-12)25-20(18)27(26-11)17-5-3-2-4-15(17)22/h2-10,19H,1H3
InChIKeyLXYZNJRFPBTCJE-UHFFFAOYSA-N
MW371.34 g/mol
LogP5.61
Rot. Bonds3

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

4-(difluoromethyl)-1-(2-fluorophenyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine (PubChem CID 29096043) has the molecular formula C20H13F4N3 and a molecular weight of 371.34 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-(2-fluorophenyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-1-(2-fluorophenyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine
PubChem CID29096043
Molecular FormulaC20H13F4N3
Molecular Weight371.34 g/mol
Exact Mass371.10
IUPAC Name4-(difluoromethyl)-1-(2-fluorophenyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine
SMILESCc1nn(-c2ccccc2F)c2nc(-c3ccc(F)cc3)cc(C(F)F)c12
InChIInChI=1S/C20H13F4N3/c1-11-18-14(19(23)24)10-16(12-6-8-13(21)9-7-12)25-20(18)27(26-11)17-5-3-2-4-15(17)22/h2-10,19H,1H3
InChIKeyLXYZNJRFPBTCJE-UHFFFAOYSA-N
XLogP5.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.34
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethyl)-1-(2-fluorophenyl)-3-methyl-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine
CID 29090216
4-(difluoromethyl)-1-(2-fluorophenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine
CID 29090615
4-(difluoromethyl)-1,6-bis(4-methoxyphenyl)-3-methylpyrazolo[5,4-b]pyridine
CID 29090055
4-(difluoromethyl)-6-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazolo[5,4-b]pyridine
CID 29096024
4-(difluoromethyl)-6-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine
CID 29090665
4-(difluoromethyl)-1-(2-fluorophenyl)-6-phenylpyrazolo[5,4-b]pyridine
CID 29090609
4-(difluoromethyl)-6-(1,5-dimethylpyrazol-4-yl)-1-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine
CID 29090661
4-(difluoromethyl)-6-(2-methoxyphenyl)-3-methyl-1-phenylpyrazolo[5,4-b]pyridine
CID 17025751
4-[6-(4-bromophenyl)-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridin-1-yl]benzoic acid
CID 29090418
2-[4-(difluoromethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 19501638
6-(4-bromophenyl)-1-[(2-chlorophenyl)methyl]-4-(difluoromethyl)-3-methylpyrazolo[5,4-b]pyridine
CID 29090612
4-(difluoromethyl)-6-(3,4-dimethylphenyl)-1-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-3-methylpyrazolo[5,4-b]pyridine
CID 19916331

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-(2-fluorophenyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine?
The IUPAC name of 4-(difluoromethyl)-1-(2-fluorophenyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine (CID 29096043) is 4-(difluoromethyl)-1-(2-fluorophenyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine.
What is the SMILES notation for 4-(difluoromethyl)-1-(2-fluorophenyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine?
The canonical SMILES for 4-(difluoromethyl)-1-(2-fluorophenyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine is Cc1nn(-c2ccccc2F)c2nc(-c3ccc(F)cc3)cc(C(F)F)c12.
What is the InChIKey of 4-(difluoromethyl)-1-(2-fluorophenyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine?
The InChIKey is LXYZNJRFPBTCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N3/c1-11-18-14(19(23)24)10-16(12-6-8-13(21)9-7-12)25-20(18)27(26-11)17-5-3-2-4-15(17)22/h2-10,19H,1H3.
What are the key properties of 4-(difluoromethyl)-1-(2-fluorophenyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine?
4-(difluoromethyl)-1-(2-fluorophenyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine has a molecular weight of 371.34 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-(2-fluorophenyl)-6-(4-fluorophenyl)-3-methylpyrazolo[5,4-b]pyridine is sourced from PubChem (CID 29096043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).