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

C27H30N8O2 — CID 134435793

IUPAC6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(1-methylimidazol-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cnc(CN2C3CC2CN(c2ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)c1
InChIInChI=1S/C27H30N8O2/c1-27(2,36)16-37-23-7-24(26-19(8-28)10-31-35(26)15-23)18-4-5-25(29-9-18)33-13-21-6-22(14-33)34(21)12-20-11-32(3)17-30-20/h4-5,7,9-11,15,17,21-22,36H,6,12-14,16H2,1-3H3
InChIKeyZYRQMGJHAXKWIK-UHFFFAOYSA-N
MW498.59 g/mol
LogP2.61
Rot. Bonds7

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

6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(1-methylimidazol-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134435793) has the molecular formula C27H30N8O2 and a molecular weight of 498.59 g/mol. Its IUPAC name is 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(1-methylimidazol-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(1-methylimidazol-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134435793
Molecular FormulaC27H30N8O2
Molecular Weight498.59 g/mol
Exact Mass498.25
IUPAC Name6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(1-methylimidazol-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCn1cnc(CN2C3CC2CN(c2ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)c1
InChIInChI=1S/C27H30N8O2/c1-27(2,36)16-37-23-7-24(26-19(8-28)10-31-35(26)15-23)18-4-5-25(29-9-18)33-13-21-6-22(14-33)34(21)12-20-11-32(3)17-30-20/h4-5,7,9-11,15,17,21-22,36H,6,12-14,16H2,1-3H3
InChIKeyZYRQMGJHAXKWIK-UHFFFAOYSA-N
XLogP2.61
TPSA107.74 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(1-methylimidazol-4-yl)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-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(1-methylimidazol-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(1-methylimidazol-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134435793) is 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(1-methylimidazol-4-yl)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-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(1-methylimidazol-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(1-methylimidazol-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cn1cnc(CN2C3CC2CN(c2ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)c1.
What is the InChIKey of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(1-methylimidazol-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is ZYRQMGJHAXKWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O2/c1-27(2,36)16-37-23-7-24(26-19(8-28)10-31-35(26)15-23)18-4-5-25(29-9-18)33-13-21-6-22(14-33)34(21)12-20-11-32(3)17-30-20/h4-5,7,9-11,15,17,21-22,36H,6,12-14,16H2,1-3H3.
What are the key properties of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(1-methylimidazol-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(1-methylimidazol-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 498.59 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(1-methylimidazol-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134435793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).