6-ethoxy-4-[6-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C27H26FN5O2 — CID 134434975

IUPAC6-ethoxy-4-[6-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CCC(O)(Cc4cccc(F)c4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H26FN5O2/c1-2-35-23-13-24(26-21(15-29)17-31-33(26)18-23)20-6-7-25(30-16-20)32-10-8-27(34,9-11-32)14-19-4-3-5-22(28)12-19/h3-7,12-13,16-18,34H,2,8-11,14H2,1H3
InChIKeyAAQASFULMJIHHS-UHFFFAOYSA-N
MW471.54 g/mol
LogP4.38
Rot. Bonds6

About 6-ethoxy-4-[6-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[6-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 134434975) has the molecular formula C27H26FN5O2 and a molecular weight of 471.54 g/mol. Its IUPAC name is 6-ethoxy-4-[6-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethoxy-4-[6-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID134434975
Molecular FormulaC27H26FN5O2
Molecular Weight471.54 g/mol
Exact Mass471.21
IUPAC Name6-ethoxy-4-[6-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CCC(O)(Cc4cccc(F)c4)CC3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C27H26FN5O2/c1-2-35-23-13-24(26-21(15-29)17-31-33(26)18-23)20-6-7-25(30-16-20)32-10-8-27(34,9-11-32)14-19-4-3-5-22(28)12-19/h3-7,12-13,16-18,34H,2,8-11,14H2,1H3
InChIKeyAAQASFULMJIHHS-UHFFFAOYSA-N
XLogP4.38
TPSA86.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[6-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-ethoxy-4-[6-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 134434975) is 6-ethoxy-4-[6-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-ethoxy-4-[6-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-ethoxy-4-[6-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3CCC(O)(Cc4cccc(F)c4)CC3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 6-ethoxy-4-[6-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is AAQASFULMJIHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O2/c1-2-35-23-13-24(26-21(15-29)17-31-33(26)18-23)20-6-7-25(30-16-20)32-10-8-27(34,9-11-32)14-19-4-3-5-22(28)12-19/h3-7,12-13,16-18,34H,2,8-11,14H2,1H3.
What are the key properties of 6-ethoxy-4-[6-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-ethoxy-4-[6-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 471.54 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-[6-[4-[(3-fluorophenyl)methyl]-4-hydroxypiperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 134434975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).