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

C29H30N8OS — CID 167202143

IUPAC6-(3-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methylsulfanyl-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCSc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CC(C)(O)C5)cn5ncc(C#N)c45)cn2)C3)cn1
InChIInChI=1S/C29H30N8OS/c1-29(38)17-35(18-29)22-8-25(28-21(9-30)12-33-37(28)16-22)20-4-5-26(31-11-20)34-14-23-7-24(15-34)36(23)13-19-3-6-27(39-2)32-10-19/h3-6,8,10-12,16,23-24,38H,7,13-15,17-18H2,1-2H3
InChIKeyFBHUTKMHGTXMDM-UHFFFAOYSA-N
MW538.68 g/mol
LogP3.42
Rot. Bonds6

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

6-(3-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methylsulfanyl-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 167202143) has the molecular formula C29H30N8OS and a molecular weight of 538.68 g/mol. Its IUPAC name is 6-(3-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methylsulfanyl-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-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methylsulfanyl-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID167202143
Molecular FormulaC29H30N8OS
Molecular Weight538.68 g/mol
Exact Mass538.23
IUPAC Name6-(3-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methylsulfanyl-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCSc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CC(C)(O)C5)cn5ncc(C#N)c45)cn2)C3)cn1
InChIInChI=1S/C29H30N8OS/c1-29(38)17-35(18-29)22-8-25(28-21(9-30)12-33-37(28)16-22)20-4-5-26(31-11-20)34-14-23-7-24(15-34)36(23)13-19-3-6-27(39-2)32-10-19/h3-6,8,10-12,16,23-24,38H,7,13-15,17-18H2,1-2H3
InChIKeyFBHUTKMHGTXMDM-UHFFFAOYSA-N
XLogP3.42
TPSA96.82 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.68
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methylsulfanyl-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-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methylsulfanyl-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 167202143) is 6-(3-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methylsulfanyl-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-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methylsulfanyl-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-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methylsulfanyl-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CSc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CC(C)(O)C5)cn5ncc(C#N)c45)cn2)C3)cn1.
What is the InChIKey of 6-(3-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methylsulfanyl-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is FBHUTKMHGTXMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N8OS/c1-29(38)17-35(18-29)22-8-25(28-21(9-30)12-33-37(28)16-22)20-4-5-26(31-11-20)34-14-23-7-24(15-34)36(23)13-19-3-6-27(39-2)32-10-19/h3-6,8,10-12,16,23-24,38H,7,13-15,17-18H2,1-2H3.
What are the key properties of 6-(3-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methylsulfanyl-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(3-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methylsulfanyl-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 538.68 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxy-3-methylazetidin-1-yl)-4-[6-[6-[(6-methylsulfanyl-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 167202143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).