4-[6-(2-acetyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile

C23H23N5O2 — CID 146667036

IUPAC4-[6-(2-acetyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(C3CC4CC3CN4C(C)=O)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C23H23N5O2/c1-3-30-19-8-21(23-17(9-24)11-26-28(23)13-19)15-4-5-22(25-10-15)20-7-18-6-16(20)12-27(18)14(2)29/h4-5,8,10-11,13,16,18,20H,3,6-7,12H2,1-2H3
InChIKeyQOAIEXAEEDHUDR-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.39
Rot. Bonds4

About 4-[6-(2-acetyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile

4-[6-(2-acetyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 146667036) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-[6-(2-acetyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[6-(2-acetyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID146667036
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name4-[6-(2-acetyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(C3CC4CC3CN4C(C)=O)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C23H23N5O2/c1-3-30-19-8-21(23-17(9-24)11-26-28(23)13-19)15-4-5-22(25-10-15)20-7-18-6-16(20)12-27(18)14(2)29/h4-5,8,10-11,13,16,18,20H,3,6-7,12H2,1-2H3
InChIKeyQOAIEXAEEDHUDR-UHFFFAOYSA-N
XLogP3.39
TPSA83.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-ethoxy-4-[6-(2-prop-2-ynoyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylazetidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;6-ethoxy-4-[6-(1-prop-2-ynoylpyrrolidin-3-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164991061
6-ethoxy-4-[6-[6-(2-methoxyethoxy)-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435654
6-ethoxy-4-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435389
4-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134434609
4-[6-[(1R,3S)-5-amino-2-azatricyclo[3.3.1.13,7]decan-2-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 175729045
[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]pyrrolidin-3-yl]carbamic acid
CID 134496884
[(3S,4S)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]carbamic acid
CID 134496998
[(3R,4R)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-3-hydroxypiperidin-4-yl]carbamic acid
CID 134496805
6-ethoxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435378
6-ethoxy-4-[6-(4-prop-2-ynylsulfonylpiperazin-1-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146668359
[(3R,4R)-1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-4-hydroxypiperidin-3-yl]carbamic acid
CID 134497021
N-[1-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-methylpiperidin-3-yl]prop-2-ynamide
CID 146667096

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-acetyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-[6-(2-acetyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile (CID 146667036) is 4-[6-(2-acetyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[6-(2-acetyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-[6-(2-acetyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(C3CC4CC3CN4C(C)=O)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-[6-(2-acetyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is QOAIEXAEEDHUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-3-30-19-8-21(23-17(9-24)11-26-28(23)13-19)15-4-5-22(25-10-15)20-7-18-6-16(20)12-27(18)14(2)29/h4-5,8,10-11,13,16,18,20H,3,6-7,12H2,1-2H3.
What are the key properties of 4-[6-(2-acetyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile?
4-[6-(2-acetyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 401.47 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(2-acetyl-2-azabicyclo[2.2.1]heptan-5-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 146667036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).