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

C29H29FN8O2 — CID 134436539

IUPAC6-[(3-fluoroazetidin-3-yl)methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC5(F)CNC5)cn5ncc(C#N)c45)cn2)C3)cn1
InChIInChI=1S/C29H29FN8O2/c1-39-27-5-2-19(9-34-27)12-37-22-6-23(37)14-36(13-22)26-4-3-20(10-33-26)25-7-24(40-18-29(30)16-32-17-29)15-38-28(25)21(8-31)11-35-38/h2-5,7,9-11,15,22-23,32H,6,12-14,16-18H2,1H3
InChIKeyYLKHFYXSTNSMMN-UHFFFAOYSA-N
MW540.60 g/mol
LogP2.82
Rot. Bonds8

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

6-[(3-fluoroazetidin-3-yl)methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436539) has the molecular formula C29H29FN8O2 and a molecular weight of 540.60 g/mol. Its IUPAC name is 6-[(3-fluoroazetidin-3-yl)methoxy]-4-[6-[6-[(6-methoxy-3-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-fluoroazetidin-3-yl)methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134436539
Molecular FormulaC29H29FN8O2
Molecular Weight540.60 g/mol
Exact Mass540.24
IUPAC Name6-[(3-fluoroazetidin-3-yl)methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC5(F)CNC5)cn5ncc(C#N)c45)cn2)C3)cn1
InChIInChI=1S/C29H29FN8O2/c1-39-27-5-2-19(9-34-27)12-37-22-6-23(37)14-36(13-22)26-4-3-20(10-33-26)25-7-24(40-18-29(30)16-32-17-29)15-38-28(25)21(8-31)11-35-38/h2-5,7,9-11,15,22-23,32H,6,12-14,16-18H2,1H3
InChIKeyYLKHFYXSTNSMMN-UHFFFAOYSA-N
XLogP2.82
TPSA103.84 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.60
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-fluoroazetidin-3-yl)methoxy]-4-[6-[6-[(6-methoxy-3-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-fluoroazetidin-3-yl)methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436539) is 6-[(3-fluoroazetidin-3-yl)methoxy]-4-[6-[6-[(6-methoxy-3-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-fluoroazetidin-3-yl)methoxy]-4-[6-[6-[(6-methoxy-3-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-fluoroazetidin-3-yl)methoxy]-4-[6-[6-[(6-methoxy-3-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(OCC5(F)CNC5)cn5ncc(C#N)c45)cn2)C3)cn1.
What is the InChIKey of 6-[(3-fluoroazetidin-3-yl)methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is YLKHFYXSTNSMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29FN8O2/c1-39-27-5-2-19(9-34-27)12-37-22-6-23(37)14-36(13-22)26-4-3-20(10-33-26)25-7-24(40-18-29(30)16-32-17-29)15-38-28(25)21(8-31)11-35-38/h2-5,7,9-11,15,22-23,32H,6,12-14,16-18H2,1H3.
What are the key properties of 6-[(3-fluoroazetidin-3-yl)methoxy]-4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-[(3-fluoroazetidin-3-yl)methoxy]-4-[6-[6-[(6-methoxy-3-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 540.60 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-fluoroazetidin-3-yl)methoxy]-4-[6-[6-[(6-methoxy-3-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 134436539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).