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

C27H30N8O2 — CID 134436764

IUPAC6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(5-methyl-1H-imidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1cnc(CN2C3CC2CN(c2ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)[nH]1
InChIInChI=1S/C27H30N8O2/c1-17-9-29-24(32-17)15-34-20-6-21(34)13-33(12-20)25-5-4-18(10-30-25)23-7-22(37-16-27(2,3)36)14-35-26(23)19(8-28)11-31-35/h4-5,7,9-11,14,20-21,36H,6,12-13,15-16H2,1-3H3,(H,29,32)
InChIKeyPZJRJUAGXOWPNZ-UHFFFAOYSA-N
MW498.59 g/mol
LogP2.91
Rot. Bonds7

About 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(5-methyl-1H-imidazol-2-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-[(5-methyl-1H-imidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134436764) 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-[(5-methyl-1H-imidazol-2-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-[(5-methyl-1H-imidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134436764
Molecular FormulaC27H30N8O2
Molecular Weight498.59 g/mol
Exact Mass498.25
IUPAC Name6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(5-methyl-1H-imidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCc1cnc(CN2C3CC2CN(c2ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)[nH]1
InChIInChI=1S/C27H30N8O2/c1-17-9-29-24(32-17)15-34-20-6-21(34)13-33(12-20)25-5-4-18(10-30-25)23-7-22(37-16-27(2,3)36)14-35-26(23)19(8-28)11-31-35/h4-5,7,9-11,14,20-21,36H,6,12-13,15-16H2,1-3H3,(H,29,32)
InChIKeyPZJRJUAGXOWPNZ-UHFFFAOYSA-N
XLogP2.91
TPSA118.60 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.59
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(5-methyl-1H-imidazol-2-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-[(5-methyl-1H-imidazol-2-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-[(5-methyl-1H-imidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134436764) is 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(5-methyl-1H-imidazol-2-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-[(5-methyl-1H-imidazol-2-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-[(5-methyl-1H-imidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is Cc1cnc(CN2C3CC2CN(c2ccc(-c4cc(OCC(C)(C)O)cn5ncc(C#N)c45)cn2)C3)[nH]1.
What is the InChIKey of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(5-methyl-1H-imidazol-2-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is PZJRJUAGXOWPNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N8O2/c1-17-9-29-24(32-17)15-34-20-6-21(34)13-33(12-20)25-5-4-18(10-30-25)23-7-22(37-16-27(2,3)36)14-35-26(23)19(8-28)11-31-35/h4-5,7,9-11,14,20-21,36H,6,12-13,15-16H2,1-3H3,(H,29,32).
What are the key properties of 6-(2-hydroxy-2-methylpropoxy)-4-[6-[6-[(5-methyl-1H-imidazol-2-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-[(5-methyl-1H-imidazol-2-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 2.91, 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-[(5-methyl-1H-imidazol-2-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 134436764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).