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

C28H26F2N8O — CID 155776173

IUPAC6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(5-methoxy-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CC(F)(F)C5)cn5ncc(C#N)c45)cn2)C3)nc1
InChIInChI=1S/C28H26F2N8O/c1-39-24-4-3-20(32-11-24)12-37-22-6-23(37)14-35(13-22)26-5-2-18(9-33-26)25-7-21(36-16-28(29,30)17-36)15-38-27(25)19(8-31)10-34-38/h2-5,7,9-11,15,22-23H,6,12-14,16-17H2,1H3
InChIKeyYQKFIUYGYRFZEX-UHFFFAOYSA-N
MW528.57 g/mol
LogP3.59
Rot. Bonds6

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

6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(5-methoxy-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 155776173) has the molecular formula C28H26F2N8O and a molecular weight of 528.57 g/mol. Its IUPAC name is 6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(5-methoxy-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(5-methoxy-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID155776173
Molecular FormulaC28H26F2N8O
Molecular Weight528.57 g/mol
Exact Mass528.22
IUPAC Name6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(5-methoxy-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CC(F)(F)C5)cn5ncc(C#N)c45)cn2)C3)nc1
InChIInChI=1S/C28H26F2N8O/c1-39-24-4-3-20(32-11-24)12-37-22-6-23(37)14-35(13-22)26-5-2-18(9-33-26)25-7-21(36-16-28(29,30)17-36)15-38-27(25)19(8-31)10-34-38/h2-5,7,9-11,15,22-23H,6,12-14,16-17H2,1H3
InChIKeyYQKFIUYGYRFZEX-UHFFFAOYSA-N
XLogP3.59
TPSA85.82 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.57
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(5-methoxy-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(5-methoxy-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 155776173) is 6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(5-methoxy-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(5-methoxy-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(5-methoxy-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CC(F)(F)C5)cn5ncc(C#N)c45)cn2)C3)nc1.
What is the InChIKey of 6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(5-methoxy-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is YQKFIUYGYRFZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N8O/c1-39-24-4-3-20(32-11-24)12-37-22-6-23(37)14-35(13-22)26-5-2-18(9-33-26)25-7-21(36-16-28(29,30)17-36)15-38-27(25)19(8-31)10-34-38/h2-5,7,9-11,15,22-23H,6,12-14,16-17H2,1H3.
What are the key properties of 6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(5-methoxy-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(5-methoxy-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 528.57 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-difluoroazetidin-1-yl)-4-[6-[6-[(5-methoxy-2-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 155776173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).