6-(5-methyl-1H-pyrazol-4-yl)-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;1-(oxetan-3-yl)azepane

C28H33N7O2 — CID 169267284

IUPAC6-(5-methyl-1H-pyrazol-4-yl)-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;1-(oxetan-3-yl)azepane
SMILESC1CCCN(C2COC2)CC1.Cc1[nH]ncc1-c1cc(OC(C)c2ccccn2)c2c(C#N)cnn2c1
InChIInChI=1S/C19H16N6O.C9H17NO/c1-12-16(10-22-24-12)14-7-18(19-15(8-20)9-23-25(19)11-14)26-13(2)17-5-3-4-6-21-17;1-2-4-6-10(5-3-1)9-7-11-8-9/h3-7,9-11,13H,1-2H3,(H,22,24);9H,1-8H2
InChIKeyPQFBGUVVPJHEPA-UHFFFAOYSA-N
MW499.62 g/mol
LogP4.70
Rot. Bonds5

About 6-(5-methyl-1H-pyrazol-4-yl)-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;1-(oxetan-3-yl)azepane

6-(5-methyl-1H-pyrazol-4-yl)-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;1-(oxetan-3-yl)azepane (PubChem CID 169267284) has the molecular formula C28H33N7O2 and a molecular weight of 499.62 g/mol. Its IUPAC name is 6-(5-methyl-1H-pyrazol-4-yl)-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;1-(oxetan-3-yl)azepane.

Molecular Properties

Compound Name6-(5-methyl-1H-pyrazol-4-yl)-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;1-(oxetan-3-yl)azepane
PubChem CID169267284
Molecular FormulaC28H33N7O2
Molecular Weight499.62 g/mol
Exact Mass499.27
IUPAC Name6-(5-methyl-1H-pyrazol-4-yl)-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;1-(oxetan-3-yl)azepane
SMILESC1CCCN(C2COC2)CC1.Cc1[nH]ncc1-c1cc(OC(C)c2ccccn2)c2c(C#N)cnn2c1
InChIInChI=1S/C19H16N6O.C9H17NO/c1-12-16(10-22-24-12)14-7-18(19-15(8-20)9-23-25(19)11-14)26-13(2)17-5-3-4-6-21-17;1-2-4-6-10(5-3-1)9-7-11-8-9/h3-7,9-11,13H,1-2H3,(H,22,24);9H,1-8H2
InChIKeyPQFBGUVVPJHEPA-UHFFFAOYSA-N
XLogP4.70
TPSA104.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.62
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-[5-methyl-1-[7-(oxetan-3-yl)-7-azaspiro[3.5]nonan-2-yl]pyrazol-4-yl]-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 169267387
6-bromo-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920773
6-[1-(1-cyanopiperidin-4-yl)-5-methyltriazol-4-yl]-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921413
[3-cyano-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]boronic acid
CID 171818813
4-[(1R)-1-pyridin-2-ylethoxy]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920671
6-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-4-(1-pyrazin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 174202123
tert-butyl 4-[4-[3-cyano-4-[(1R)-1-pyridin-2-ylethoxy]pyrazolo[1,5-a]pyridin-6-yl]-5-methyltriazol-1-yl]piperidine-1-carboxylate
CID 164921453
6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]-4-(1-methyl-2-pyridin-2-ylpyrrolidin-3-yl)oxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 169267686
6-[2-(1-cyanopiperidin-4-yl)iminopropanehydrazonoyl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164921297
6-[(Z)-1-amino-3-piperidin-4-yliminobut-1-en-2-yl]-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 169267645
4-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethoxy]-6-[5-methyl-1-[1-(oxetan-3-yl)piperidin-4-yl]triazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 169267546
6-[1-(1-cyanopiperidin-4-yl)-5-methylpyrazol-4-yl]-4-[(1R)-1-(3-fluoro-2-pyridinyl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 164920642

Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-1H-pyrazol-4-yl)-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;1-(oxetan-3-yl)azepane?
The IUPAC name of 6-(5-methyl-1H-pyrazol-4-yl)-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;1-(oxetan-3-yl)azepane (CID 169267284) is 6-(5-methyl-1H-pyrazol-4-yl)-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;1-(oxetan-3-yl)azepane.
What is the SMILES notation for 6-(5-methyl-1H-pyrazol-4-yl)-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;1-(oxetan-3-yl)azepane?
The canonical SMILES for 6-(5-methyl-1H-pyrazol-4-yl)-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;1-(oxetan-3-yl)azepane is C1CCCN(C2COC2)CC1.Cc1[nH]ncc1-c1cc(OC(C)c2ccccn2)c2c(C#N)cnn2c1.
What is the InChIKey of 6-(5-methyl-1H-pyrazol-4-yl)-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;1-(oxetan-3-yl)azepane?
The InChIKey is PQFBGUVVPJHEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O.C9H17NO/c1-12-16(10-22-24-12)14-7-18(19-15(8-20)9-23-25(19)11-14)26-13(2)17-5-3-4-6-21-17;1-2-4-6-10(5-3-1)9-7-11-8-9/h3-7,9-11,13H,1-2H3,(H,22,24);9H,1-8H2.
What are the key properties of 6-(5-methyl-1H-pyrazol-4-yl)-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;1-(oxetan-3-yl)azepane?
6-(5-methyl-1H-pyrazol-4-yl)-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;1-(oxetan-3-yl)azepane has a molecular weight of 499.62 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-1H-pyrazol-4-yl)-4-(1-pyridin-2-ylethoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile;1-(oxetan-3-yl)azepane is sourced from PubChem (CID 169267284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).