6-ethoxy-4-[5-[6-[(5-fluoro-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C25H23FN8O — CID 134435968

IUPAC6-ethoxy-4-[5-[6-[(5-fluoro-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2cnc(N3CC4CC(C3)N4Cc3cncc(F)c3)cn2)c2c(C#N)cnn2c1
InChIInChI=1S/C25H23FN8O/c1-2-35-21-5-22(25-17(6-27)8-31-34(25)15-21)23-10-30-24(11-29-23)32-13-19-4-20(14-32)33(19)12-16-3-18(26)9-28-7-16/h3,5,7-11,15,19-20H,2,4,12-14H2,1H3
InChIKeyUEBQKGQYARHEGI-UHFFFAOYSA-N
MW470.51 g/mol
LogP3.06
Rot. Bonds6

About 6-ethoxy-4-[5-[6-[(5-fluoro-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[5-[6-[(5-fluoro-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435968) has the molecular formula C25H23FN8O and a molecular weight of 470.51 g/mol. Its IUPAC name is 6-ethoxy-4-[5-[6-[(5-fluoro-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethoxy-4-[5-[6-[(5-fluoro-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134435968
Molecular FormulaC25H23FN8O
Molecular Weight470.51 g/mol
Exact Mass470.20
IUPAC Name6-ethoxy-4-[5-[6-[(5-fluoro-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2cnc(N3CC4CC(C3)N4Cc3cncc(F)c3)cn2)c2c(C#N)cnn2c1
InChIInChI=1S/C25H23FN8O/c1-2-35-21-5-22(25-17(6-27)8-31-34(25)15-21)23-10-30-24(11-29-23)32-13-19-4-20(14-32)33(19)12-16-3-18(26)9-28-7-16/h3,5,7-11,15,19-20H,2,4,12-14H2,1H3
InChIKeyUEBQKGQYARHEGI-UHFFFAOYSA-N
XLogP3.06
TPSA95.47 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-ethoxy-4-[5-[6-[(5-fluoro-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[5-[6-[(5-fluoro-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-ethoxy-4-[5-[6-[(5-fluoro-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435968) is 6-ethoxy-4-[5-[6-[(5-fluoro-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-ethoxy-4-[5-[6-[(5-fluoro-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-ethoxy-4-[5-[6-[(5-fluoro-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2cnc(N3CC4CC(C3)N4Cc3cncc(F)c3)cn2)c2c(C#N)cnn2c1.
What is the InChIKey of 6-ethoxy-4-[5-[6-[(5-fluoro-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is UEBQKGQYARHEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN8O/c1-2-35-21-5-22(25-17(6-27)8-31-34(25)15-21)23-10-30-24(11-29-23)32-13-19-4-20(14-32)33(19)12-16-3-18(26)9-28-7-16/h3,5,7-11,15,19-20H,2,4,12-14H2,1H3.
What are the key properties of 6-ethoxy-4-[5-[6-[(5-fluoro-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-ethoxy-4-[5-[6-[(5-fluoro-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 470.51 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-[5-[6-[(5-fluoro-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).