4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride

C24H26ClFN8O2 — CID 174160392

IUPAC4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
SMILESCOCC(Oc1cc(-c2nnn(C3CCNCC3)c2C)cn2ncc(C#N)c12)c1ccc(F)cn1.Cl
InChIInChI=1S/C24H25FN8O2.ClH/c1-15-23(30-31-33(15)19-5-7-27-8-6-19)16-9-21(24-17(10-26)11-29-32(24)13-16)35-22(14-34-2)20-4-3-18(25)12-28-20;/h3-4,9,11-13,19,22,27H,5-8,14H2,1-2H3;1H
InChIKeyBKJVJELLNAJCIN-UHFFFAOYSA-N
MW512.98 g/mol
LogP3.42
Rot. Bonds7

About 4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride

4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride (PubChem CID 174160392) has the molecular formula C24H26ClFN8O2 and a molecular weight of 512.98 g/mol. Its IUPAC name is 4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
PubChem CID174160392
Molecular FormulaC24H26ClFN8O2
Molecular Weight512.98 g/mol
Exact Mass512.19
IUPAC Name4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
SMILESCOCC(Oc1cc(-c2nnn(C3CCNCC3)c2C)cn2ncc(C#N)c12)c1ccc(F)cn1.Cl
InChIInChI=1S/C24H25FN8O2.ClH/c1-15-23(30-31-33(15)19-5-7-27-8-6-19)16-9-21(24-17(10-26)11-29-32(24)13-16)35-22(14-34-2)20-4-3-18(25)12-28-20;/h3-4,9,11-13,19,22,27H,5-8,14H2,1-2H3;1H
InChIKeyBKJVJELLNAJCIN-UHFFFAOYSA-N
XLogP3.42
TPSA115.18 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.98
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?
The IUPAC name of 4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride (CID 174160392) is 4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride.
What is the SMILES notation for 4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?
The canonical SMILES for 4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride is COCC(Oc1cc(-c2nnn(C3CCNCC3)c2C)cn2ncc(C#N)c12)c1ccc(F)cn1.Cl.
What is the InChIKey of 4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?
The InChIKey is BKJVJELLNAJCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN8O2.ClH/c1-15-23(30-31-33(15)19-5-7-27-8-6-19)16-9-21(24-17(10-26)11-29-32(24)13-16)35-22(14-34-2)20-4-3-18(25)12-28-20;/h3-4,9,11-13,19,22,27H,5-8,14H2,1-2H3;1H.
What are the key properties of 4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?
4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride has a molecular weight of 512.98 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-fluoro-2-pyridinyl)-2-methoxyethoxy]-6-(5-methyl-1-piperidin-4-yltriazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 174160392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).