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

C30H32N8O2 — CID 134435775

IUPAC4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC5(C)CNC5)cn5ncc(C#N)c45)cn2)C3)cn1
InChIInChI=1S/C30H32N8O2/c1-30(17-32-18-30)19-40-25-8-26(29-22(9-31)12-35-38(29)16-25)21-4-5-27(33-11-21)36-14-23-7-24(15-36)37(23)13-20-3-6-28(39-2)34-10-20/h3-6,8,10-12,16,23-24,32H,7,13-15,17-19H2,1-2H3
InChIKeyWDMXWTLDHCGQNG-UHFFFAOYSA-N
MW536.64 g/mol
LogP3.12
Rot. Bonds8

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

4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435775) has the molecular formula C30H32N8O2 and a molecular weight of 536.64 g/mol. Its IUPAC name is 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134435775
Molecular FormulaC30H32N8O2
Molecular Weight536.64 g/mol
Exact Mass536.26
IUPAC Name4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC5(C)CNC5)cn5ncc(C#N)c45)cn2)C3)cn1
InChIInChI=1S/C30H32N8O2/c1-30(17-32-18-30)19-40-25-8-26(29-22(9-31)12-35-38(29)16-25)21-4-5-27(33-11-21)36-14-23-7-24(15-36)37(23)13-20-3-6-28(39-2)34-10-20/h3-6,8,10-12,16,23-24,32H,7,13-15,17-19H2,1-2H3
InChIKeyWDMXWTLDHCGQNG-UHFFFAOYSA-N
XLogP3.12
TPSA103.84 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.64
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435775) is 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(OCC5(C)CNC5)cn5ncc(C#N)c45)cn2)C3)cn1.
What is the InChIKey of 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is WDMXWTLDHCGQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N8O2/c1-30(17-32-18-30)19-40-25-8-26(29-22(9-31)12-35-38(29)16-25)21-4-5-27(33-11-21)36-14-23-7-24(15-36)37(23)13-20-3-6-28(39-2)34-10-20/h3-6,8,10-12,16,23-24,32H,7,13-15,17-19H2,1-2H3.
What are the key properties of 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 536.64 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[(3-methylazetidin-3-yl)methoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).