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

C26H28N8O2 — CID 134436763

IUPAC6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(1H-imidazol-2-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(N3CC4CC(C3)N4Cc3ncc[nH]3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C26H28N8O2/c1-26(2,35)16-36-21-8-22(25-18(9-27)11-31-34(25)14-21)17-3-4-24(30-10-17)32-12-19-7-20(13-32)33(19)15-23-28-5-6-29-23/h3-6,8,10-11,14,19-20,35H,7,12-13,15-16H2,1-2H3,(H,28,29)
InChIKeyVXKICMZJQKLBFJ-UHFFFAOYSA-N
MW484.56 g/mol
LogP2.60
Rot. Bonds7

About 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(1H-imidazol-2-ylmethyl)-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-(1H-imidazol-2-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436763) has the molecular formula C26H28N8O2 and a molecular weight of 484.56 g/mol. Its IUPAC name is 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(1H-imidazol-2-ylmethyl)-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-(1H-imidazol-2-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134436763
Molecular FormulaC26H28N8O2
Molecular Weight484.56 g/mol
Exact Mass484.23
IUPAC Name6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(1H-imidazol-2-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(N3CC4CC(C3)N4Cc3ncc[nH]3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C26H28N8O2/c1-26(2,35)16-36-21-8-22(25-18(9-27)11-31-34(25)14-21)17-3-4-24(30-10-17)32-12-19-7-20(13-32)33(19)15-23-28-5-6-29-23/h3-6,8,10-11,14,19-20,35H,7,12-13,15-16H2,1-2H3,(H,28,29)
InChIKeyVXKICMZJQKLBFJ-UHFFFAOYSA-N
XLogP2.60
TPSA118.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(1H-imidazol-2-ylmethyl)-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-(1H-imidazol-2-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436763) is 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(1H-imidazol-2-ylmethyl)-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-(1H-imidazol-2-ylmethyl)-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-(1H-imidazol-2-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(C)(O)COc1cc(-c2ccc(N3CC4CC(C3)N4Cc3ncc[nH]3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(1H-imidazol-2-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is VXKICMZJQKLBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O2/c1-26(2,35)16-36-21-8-22(25-18(9-27)11-31-34(25)14-21)17-3-4-24(30-10-17)32-12-19-7-20(13-32)33(19)15-23-28-5-6-29-23/h3-6,8,10-11,14,19-20,35H,7,12-13,15-16H2,1-2H3,(H,28,29).
What are the key properties of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(1H-imidazol-2-ylmethyl)-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-(1H-imidazol-2-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 484.56 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-(1H-imidazol-2-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134436763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).