4-(2,3-difluorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

C19H12F2N4 — CID 135583880

IUPAC4-(2,3-difluorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#CC1=C(c2ccccc2)Nc2[nH]ncc2C1c1cccc(F)c1F
InChIInChI=1S/C19H12F2N4/c20-15-8-4-7-12(17(15)21)16-13(9-22)18(11-5-2-1-3-6-11)24-19-14(16)10-23-25-19/h1-8,10,16H,(H2,23,24,25)
InChIKeyGZZSNXWWAUPQCN-UHFFFAOYSA-N
MW334.33 g/mol
LogP4.18
Rot. Bonds2

About 4-(2,3-difluorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

4-(2,3-difluorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135583880) has the molecular formula C19H12F2N4 and a molecular weight of 334.33 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135583880
Molecular FormulaC19H12F2N4
Molecular Weight334.33 g/mol
Exact Mass334.10
IUPAC Name4-(2,3-difluorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#CC1=C(c2ccccc2)Nc2[nH]ncc2C1c1cccc(F)c1F
InChIInChI=1S/C19H12F2N4/c20-15-8-4-7-12(17(15)21)16-13(9-22)18(11-5-2-1-3-6-11)24-19-14(16)10-23-25-19/h1-8,10,16H,(H2,23,24,25)
InChIKeyGZZSNXWWAUPQCN-UHFFFAOYSA-N
XLogP4.18
TPSA64.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.33
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(2,3-difluorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135583880) is 4-(2,3-difluorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(2,3-difluorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(2,3-difluorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is N#CC1=C(c2ccccc2)Nc2[nH]ncc2C1c1cccc(F)c1F.
What is the InChIKey of 4-(2,3-difluorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is GZZSNXWWAUPQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4/c20-15-8-4-7-12(17(15)21)16-13(9-22)18(11-5-2-1-3-6-11)24-19-14(16)10-23-25-19/h1-8,10,16H,(H2,23,24,25).
What are the key properties of 4-(2,3-difluorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(2,3-difluorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 334.33 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-6-phenyl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135583880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).