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

C18H17F2N5 — CID 91243118

IUPAC4-(2,6-difluorophenyl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#CC1C(C2CCNCC2)=Nc2[nH]ncc2C1c1c(F)cccc1F
InChIInChI=1S/C18H17F2N5/c19-13-2-1-3-14(20)16(13)15-11(8-21)17(10-4-6-22-7-5-10)24-18-12(15)9-23-25-18/h1-3,9-11,15,22H,4-7H2,(H,23,25)
InChIKeyQBAFWRZCRFYWPN-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.05
Rot. Bonds2

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

4-(2,6-difluorophenyl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (PubChem CID 91243118) has the molecular formula C18H17F2N5 and a molecular weight of 341.37 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
PubChem CID91243118
Molecular FormulaC18H17F2N5
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name4-(2,6-difluorophenyl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile
SMILESN#CC1C(C2CCNCC2)=Nc2[nH]ncc2C1c1c(F)cccc1F
InChIInChI=1S/C18H17F2N5/c19-13-2-1-3-14(20)16(13)15-11(8-21)17(10-4-6-22-7-5-10)24-18-12(15)9-23-25-18/h1-3,9-11,15,22H,4-7H2,(H,23,25)
InChIKeyQBAFWRZCRFYWPN-UHFFFAOYSA-N
XLogP3.05
TPSA76.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The IUPAC name of 4-(2,6-difluorophenyl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile (CID 91243118) is 4-(2,6-difluorophenyl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile.
What is the SMILES notation for 4-(2,6-difluorophenyl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The canonical SMILES for 4-(2,6-difluorophenyl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is N#CC1C(C2CCNCC2)=Nc2[nH]ncc2C1c1c(F)cccc1F.
What is the InChIKey of 4-(2,6-difluorophenyl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
The InChIKey is QBAFWRZCRFYWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5/c19-13-2-1-3-14(20)16(13)15-11(8-21)17(10-4-6-22-7-5-10)24-18-12(15)9-23-25-18/h1-3,9-11,15,22H,4-7H2,(H,23,25).
What are the key properties of 4-(2,6-difluorophenyl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile?
4-(2,6-difluorophenyl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile has a molecular weight of 341.37 g/mol, XLogP of 3.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-6-piperidin-4-yl-4,5-dihydro-1H-pyrazolo[5,4-b]pyridine-5-carbonitrile is sourced from PubChem (CID 91243118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).