6-ethoxy-4-[6-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C24H23N7O2 — CID 134434583

IUPAC6-ethoxy-4-[6-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CCC(Oc4ncccn4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C24H23N7O2/c1-2-32-20-12-21(23-18(13-25)15-29-31(23)16-20)17-4-5-22(28-14-17)30-10-6-19(7-11-30)33-24-26-8-3-9-27-24/h3-5,8-9,12,14-16,19H,2,6-7,10-11H2,1H3
InChIKeyGOPNNTCKAGHHMD-UHFFFAOYSA-N
MW441.50 g/mol
LogP3.50
Rot. Bonds6

About 6-ethoxy-4-[6-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[6-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134434583) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is 6-ethoxy-4-[6-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethoxy-4-[6-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134434583
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC Name6-ethoxy-4-[6-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CCC(Oc4ncccn4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C24H23N7O2/c1-2-32-20-12-21(23-18(13-25)15-29-31(23)16-20)17-4-5-22(28-14-17)30-10-6-19(7-11-30)33-24-26-8-3-9-27-24/h3-5,8-9,12,14-16,19H,2,6-7,10-11H2,1H3
InChIKeyGOPNNTCKAGHHMD-UHFFFAOYSA-N
XLogP3.50
TPSA101.46 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[6-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-ethoxy-4-[6-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134434583) is 6-ethoxy-4-[6-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-ethoxy-4-[6-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-ethoxy-4-[6-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3CCC(Oc4ncccn4)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 6-ethoxy-4-[6-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is GOPNNTCKAGHHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-2-32-20-12-21(23-18(13-25)15-29-31(23)16-20)17-4-5-22(28-14-17)30-10-6-19(7-11-30)33-24-26-8-3-9-27-24/h3-5,8-9,12,14-16,19H,2,6-7,10-11H2,1H3.
What are the key properties of 6-ethoxy-4-[6-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-ethoxy-4-[6-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 441.50 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-[6-(4-pyrimidin-2-yloxypiperidin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134434583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).