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

C18H17F2N5 — CID 135583827

IUPAC4-(2,3-difluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#CC1=C(C2CCNCC2)Nc2[nH]ncc2C1c1cccc(F)c1F
InChIInChI=1S/C18H17F2N5/c19-14-3-1-2-11(16(14)20)15-12(8-21)17(10-4-6-22-7-5-10)24-18-13(15)9-23-25-18/h1-3,9-10,15,22H,4-7H2,(H2,23,24,25)
InChIKeyHPDUUBWPWBKJBB-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.02
Rot. Bonds2

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

4-(2,3-difluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 135583827) has the molecular formula C18H17F2N5 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID135583827
Molecular FormulaC18H17F2N5
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name4-(2,3-difluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#CC1=C(C2CCNCC2)Nc2[nH]ncc2C1c1cccc(F)c1F
InChIInChI=1S/C18H17F2N5/c19-14-3-1-2-11(16(14)20)15-12(8-21)17(10-4-6-22-7-5-10)24-18-13(15)9-23-25-18/h1-3,9-10,15,22H,4-7H2,(H2,23,24,25)
InChIKeyHPDUUBWPWBKJBB-UHFFFAOYSA-N
XLogP3.02
TPSA76.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(2,3-difluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 135583827) is 4-(2,3-difluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(2,3-difluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(2,3-difluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is N#CC1=C(C2CCNCC2)Nc2[nH]ncc2C1c1cccc(F)c1F.
What is the InChIKey of 4-(2,3-difluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is HPDUUBWPWBKJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5/c19-14-3-1-2-11(16(14)20)15-12(8-21)17(10-4-6-22-7-5-10)24-18-13(15)9-23-25-18/h1-3,9-10,15,22H,4-7H2,(H2,23,24,25).
What are the key properties of 4-(2,3-difluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(2,3-difluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 341.37 g/mol, XLogP of 3.02, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-6-piperidin-4-yl-4,7-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 135583827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).