6-ethoxy-4-[6-[(1S,6R)-6-pyrimidin-2-yloxy-3-azabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C26H25N7O2 — CID 152945441

IUPAC6-ethoxy-4-[6-[(1S,6R)-6-pyrimidin-2-yloxy-3-azabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CC4C[C@@H](C[C@H]4Oc4ncccn4)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C26H25N7O2/c1-2-34-21-10-22(25-20(11-27)13-31-33(25)16-21)18-4-5-24(30-12-18)32-14-17-8-19(15-32)23(9-17)35-26-28-6-3-7-29-26/h3-7,10,12-13,16-17,19,23H,2,8-9,14-15H2,1H3/t17-,19?,23+/m0/s1
InChIKeyUNQSUIBTGSCWIH-MDGGQCKNSA-N
MW467.53 g/mol
LogP3.75
Rot. Bonds6

About 6-ethoxy-4-[6-[(1S,6R)-6-pyrimidin-2-yloxy-3-azabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-ethoxy-4-[6-[(1S,6R)-6-pyrimidin-2-yloxy-3-azabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 152945441) has the molecular formula C26H25N7O2 and a molecular weight of 467.53 g/mol. Its IUPAC name is 6-ethoxy-4-[6-[(1S,6R)-6-pyrimidin-2-yloxy-3-azabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethoxy-4-[6-[(1S,6R)-6-pyrimidin-2-yloxy-3-azabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID152945441
Molecular FormulaC26H25N7O2
Molecular Weight467.53 g/mol
Exact Mass467.21
IUPAC Name6-ethoxy-4-[6-[(1S,6R)-6-pyrimidin-2-yloxy-3-azabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCCOc1cc(-c2ccc(N3CC4C[C@@H](C[C@H]4Oc4ncccn4)C3)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C26H25N7O2/c1-2-34-21-10-22(25-20(11-27)13-31-33(25)16-21)18-4-5-24(30-12-18)32-14-17-8-19(15-32)23(9-17)35-26-28-6-3-7-29-26/h3-7,10,12-13,16-17,19,23H,2,8-9,14-15H2,1H3/t17-,19?,23+/m0/s1
InChIKeyUNQSUIBTGSCWIH-MDGGQCKNSA-N
XLogP3.75
TPSA101.46 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-ethoxy-4-[6-[(1S,6R)-6-pyrimidin-2-yloxy-3-azabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

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Related Compounds

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
4-[6-[(3S,4R)-3-amino-4-pyridin-2-yloxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435368
4-[6-(3-amino-4-pyridin-2-yloxypyrrolidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435370
4-[6-(3-aminopyrrolidin-1-yl)-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134434609
6-ethoxy-4-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435389
6-ethoxy-4-[6-[(5S)-6-[(5-methoxypyrazin-2-yl)amino]-3-azabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 153317960
6-ethoxy-4-(6-piperazin-1-yl-3-pyridinyl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435378
6-ethoxy-4-[6-[(3S,5R)-4-[(6-methoxy-3-pyridinyl)methyl]-3,5-dimethylpiperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134436348
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
4-[6-[(4R)-3-azido-4-hydroxypyrrolidin-1-yl]-3-pyridinyl]-6-ethoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435964
6-ethoxy-4-[6-[(3S,4S)-4-methyl-3-(methylamino)piperidin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 134435641
N-[(3aR,6aS)-2-[5-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]-5-methyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
CID 164818188

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-[6-[(1S,6R)-6-pyrimidin-2-yloxy-3-azabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-ethoxy-4-[6-[(1S,6R)-6-pyrimidin-2-yloxy-3-azabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 152945441) is 6-ethoxy-4-[6-[(1S,6R)-6-pyrimidin-2-yloxy-3-azabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-ethoxy-4-[6-[(1S,6R)-6-pyrimidin-2-yloxy-3-azabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-ethoxy-4-[6-[(1S,6R)-6-pyrimidin-2-yloxy-3-azabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is CCOc1cc(-c2ccc(N3CC4C[C@@H](C[C@H]4Oc4ncccn4)C3)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 6-ethoxy-4-[6-[(1S,6R)-6-pyrimidin-2-yloxy-3-azabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is UNQSUIBTGSCWIH-MDGGQCKNSA-N. The full InChI is InChI=1S/C26H25N7O2/c1-2-34-21-10-22(25-20(11-27)13-31-33(25)16-21)18-4-5-24(30-12-18)32-14-17-8-19(15-32)23(9-17)35-26-28-6-3-7-29-26/h3-7,10,12-13,16-17,19,23H,2,8-9,14-15H2,1H3/t17-,19?,23+/m0/s1.
What are the key properties of 6-ethoxy-4-[6-[(1S,6R)-6-pyrimidin-2-yloxy-3-azabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-ethoxy-4-[6-[(1S,6R)-6-pyrimidin-2-yloxy-3-azabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 467.53 g/mol, XLogP of 3.75, 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-[(1S,6R)-6-pyrimidin-2-yloxy-3-azabicyclo[3.2.1]octan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 152945441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).