4-[6-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

C28H29FN6O3 — CID 134434957

IUPAC4-[6-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(N3CCC(O)(Cc4ncccc4F)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C28H29FN6O3/c1-27(2,36)18-38-21-12-22(26-20(14-30)16-33-35(26)17-21)19-5-6-25(32-15-19)34-10-7-28(37,8-11-34)13-24-23(29)4-3-9-31-24/h3-6,9,12,15-17,36-37H,7-8,10-11,13,18H2,1-2H3
InChIKeyMZELVMBBEYZIIN-UHFFFAOYSA-N
MW516.58 g/mol
LogP3.53
Rot. Bonds7

About 4-[6-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134434957) has the molecular formula C28H29FN6O3 and a molecular weight of 516.58 g/mol. Its IUPAC name is 4-[6-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134434957
Molecular FormulaC28H29FN6O3
Molecular Weight516.58 g/mol
Exact Mass516.23
IUPAC Name4-[6-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(N3CCC(O)(Cc4ncccc4F)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C28H29FN6O3/c1-27(2,36)18-38-21-12-22(26-20(14-30)16-33-35(26)17-21)19-5-6-25(32-15-19)34-10-7-28(37,8-11-34)13-24-23(29)4-3-9-31-24/h3-6,9,12,15-17,36-37H,7-8,10-11,13,18H2,1-2H3
InChIKeyMZELVMBBEYZIIN-UHFFFAOYSA-N
XLogP3.53
TPSA119.80 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.58
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134434957) is 4-[6-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(C)(O)COc1cc(-c2ccc(N3CCC(O)(Cc4ncccc4F)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[6-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is MZELVMBBEYZIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN6O3/c1-27(2,36)18-38-21-12-22(26-20(14-30)16-33-35(26)17-21)19-5-6-25(32-15-19)34-10-7-28(37,8-11-34)13-24-23(29)4-3-9-31-24/h3-6,9,12,15-17,36-37H,7-8,10-11,13,18H2,1-2H3.
What are the key properties of 4-[6-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 516.58 g/mol, XLogP of 3.53, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-[(3-fluoro-2-pyridinyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134434957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).