6-(2-hydroxy-2-methylpropoxy)-4-[6-(quinolin-6-ylmethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C27H24N6O2 — CID 166807063

IUPAC6-(2-hydroxy-2-methylpropoxy)-4-[6-(quinolin-6-ylmethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(NCc3ccc4ncccc4c3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H24N6O2/c1-27(2,34)17-35-22-11-23(26-21(12-28)15-32-33(26)16-22)20-6-8-25(31-14-20)30-13-18-5-7-24-19(10-18)4-3-9-29-24/h3-11,14-16,34H,13,17H2,1-2H3,(H,30,31)
InChIKeyAXPFFUFNMGREPU-UHFFFAOYSA-N
MW464.53 g/mol
LogP4.58
Rot. Bonds7

About 6-(2-hydroxy-2-methylpropoxy)-4-[6-(quinolin-6-ylmethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(2-hydroxy-2-methylpropoxy)-4-[6-(quinolin-6-ylmethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 166807063) has the molecular formula C27H24N6O2 and a molecular weight of 464.53 g/mol. Its IUPAC name is 6-(2-hydroxy-2-methylpropoxy)-4-[6-(quinolin-6-ylmethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2-hydroxy-2-methylpropoxy)-4-[6-(quinolin-6-ylmethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID166807063
Molecular FormulaC27H24N6O2
Molecular Weight464.53 g/mol
Exact Mass464.20
IUPAC Name6-(2-hydroxy-2-methylpropoxy)-4-[6-(quinolin-6-ylmethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(NCc3ccc4ncccc4c3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H24N6O2/c1-27(2,34)17-35-22-11-23(26-21(12-28)15-32-33(26)16-22)20-6-8-25(31-14-20)30-13-18-5-7-24-19(10-18)4-3-9-29-24/h3-11,14-16,34H,13,17H2,1-2H3,(H,30,31)
InChIKeyAXPFFUFNMGREPU-UHFFFAOYSA-N
XLogP4.58
TPSA108.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-(2-hydroxy-2-methylpropoxy)-4-[5-(methylamino)pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155405921
6-(2-hydroxy-2-methylpropoxy)-4-(6-pyrrolidin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436242
4-[6-(3-amino-3-methylazetidin-1-yl)-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134497146
6-(2-hydroxy-2-methylpropoxy)-4-[6-(3-phenylmethoxyazetidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436245
4-[6-[4-hydroxy-4-[(4-methylphenyl)methyl]piperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435682
6-(2-hydroxy-2-methylpropoxy)-4-[6-[1-[(4-methoxyphenyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155666101
6-(2-hydroxy-2-methylpropoxy)-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 138521644
6-(2-hydroxy-2-methylpropoxy)-4-[6-[(1S,5R)-6-[(5-methylpyrazin-2-yl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134553357
6-(2-hydroxy-2-methylpropoxy)-4-pyrazol-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile
CID 163261992
4-[6-[(3S)-3-amino-3-methylpyrrolidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134434729
N-[2-[1-[5-[3-cyano-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-4-methylpiperidin-4-yl]ethynyl]pyridine-3-carboxamide
CID 156903193
4-[6-[(1S,5R)-6-(aminomethyl)-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 155388179

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-[6-(quinolin-6-ylmethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(2-hydroxy-2-methylpropoxy)-4-[6-(quinolin-6-ylmethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 166807063) is 6-(2-hydroxy-2-methylpropoxy)-4-[6-(quinolin-6-ylmethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2-hydroxy-2-methylpropoxy)-4-[6-(quinolin-6-ylmethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(2-hydroxy-2-methylpropoxy)-4-[6-(quinolin-6-ylmethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(C)(O)COc1cc(-c2ccc(NCc3ccc4ncccc4c3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 6-(2-hydroxy-2-methylpropoxy)-4-[6-(quinolin-6-ylmethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is AXPFFUFNMGREPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O2/c1-27(2,34)17-35-22-11-23(26-21(12-28)15-32-33(26)16-22)20-6-8-25(31-14-20)30-13-18-5-7-24-19(10-18)4-3-9-29-24/h3-11,14-16,34H,13,17H2,1-2H3,(H,30,31).
What are the key properties of 6-(2-hydroxy-2-methylpropoxy)-4-[6-(quinolin-6-ylmethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(2-hydroxy-2-methylpropoxy)-4-[6-(quinolin-6-ylmethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 464.53 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-2-methylpropoxy)-4-[6-(quinolin-6-ylmethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 166807063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).