4-(2-fluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

C18H18FN5 — CID 135583773

IUPAC4-(2-fluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#CC1=C(C2CCNCC2)Nc2[nH]ncc2C1c1ccccc1F
InChIInChI=1S/C18H18FN5/c19-15-4-2-1-3-12(15)16-13(9-20)17(11-5-7-21-8-6-11)23-18-14(16)10-22-24-18/h1-4,10-11,16,21H,5-8H2,(H2,22,23,24)
InChIKeyYQBDESSKXYBLIY-UHFFFAOYSA-N
MW323.38 g/mol
LogP2.88
Rot. Bonds2

About 4-(2-fluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile

4-(2-fluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135583773) has the molecular formula C18H18FN5 and a molecular weight of 323.38 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2-fluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135583773
Molecular FormulaC18H18FN5
Molecular Weight323.38 g/mol
Exact Mass323.15
IUPAC Name4-(2-fluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#CC1=C(C2CCNCC2)Nc2[nH]ncc2C1c1ccccc1F
InChIInChI=1S/C18H18FN5/c19-15-4-2-1-3-12(15)16-13(9-20)17(11-5-7-21-8-6-11)23-18-14(16)10-22-24-18/h1-4,10-11,16,21H,5-8H2,(H2,22,23,24)
InChIKeyYQBDESSKXYBLIY-UHFFFAOYSA-N
XLogP2.88
TPSA76.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(2-fluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135583773) is 4-(2-fluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(2-fluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(2-fluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is N#CC1=C(C2CCNCC2)Nc2[nH]ncc2C1c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is YQBDESSKXYBLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5/c19-15-4-2-1-3-12(15)16-13(9-20)17(11-5-7-21-8-6-11)23-18-14(16)10-22-24-18/h1-4,10-11,16,21H,5-8H2,(H2,22,23,24).
What are the key properties of 4-(2-fluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(2-fluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 323.38 g/mol, XLogP of 2.88, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135583773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).