6-(5-methyl-1-piperidin-4-yltriazol-4-yl)-4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride

C26H28ClN9O — CID 176863998

IUPAC6-(5-methyl-1-piperidin-4-yltriazol-4-yl)-4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
SMILESCc1c(-c2cc(OC(C)c3cncc4c3ccn4C)c3c(C#N)cnn3c2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C26H27N9O.ClH/c1-16-25(31-32-35(16)20-4-7-28-8-5-20)18-10-24(26-19(11-27)12-30-34(26)15-18)36-17(2)22-13-29-14-23-21(22)6-9-33(23)3;/h6,9-10,12-15,17,20,28H,4-5,7-8H2,1-3H3;1H
InChIKeyZXHMNYFGHICLGW-UHFFFAOYSA-N
MW518.03 g/mol
LogP4.15
Rot. Bonds5

About 6-(5-methyl-1-piperidin-4-yltriazol-4-yl)-4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride

6-(5-methyl-1-piperidin-4-yltriazol-4-yl)-4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride (PubChem CID 176863998) has the molecular formula C26H28ClN9O and a molecular weight of 518.03 g/mol. Its IUPAC name is 6-(5-methyl-1-piperidin-4-yltriazol-4-yl)-4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name6-(5-methyl-1-piperidin-4-yltriazol-4-yl)-4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
PubChem CID176863998
Molecular FormulaC26H28ClN9O
Molecular Weight518.03 g/mol
Exact Mass517.21
IUPAC Name6-(5-methyl-1-piperidin-4-yltriazol-4-yl)-4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
SMILESCc1c(-c2cc(OC(C)c3cncc4c3ccn4C)c3c(C#N)cnn3c2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C26H27N9O.ClH/c1-16-25(31-32-35(16)20-4-7-28-8-5-20)18-10-24(26-19(11-27)12-30-34(26)15-18)36-17(2)22-13-29-14-23-21(22)6-9-33(23)3;/h6,9-10,12-15,17,20,28H,4-5,7-8H2,1-3H3;1H
InChIKeyZXHMNYFGHICLGW-UHFFFAOYSA-N
XLogP4.15
TPSA110.88 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.03
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-1-piperidin-4-yltriazol-4-yl)-4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?
The IUPAC name of 6-(5-methyl-1-piperidin-4-yltriazol-4-yl)-4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride (CID 176863998) is 6-(5-methyl-1-piperidin-4-yltriazol-4-yl)-4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride.
What is the SMILES notation for 6-(5-methyl-1-piperidin-4-yltriazol-4-yl)-4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?
The canonical SMILES for 6-(5-methyl-1-piperidin-4-yltriazol-4-yl)-4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride is Cc1c(-c2cc(OC(C)c3cncc4c3ccn4C)c3c(C#N)cnn3c2)nnn1C1CCNCC1.Cl.
What is the InChIKey of 6-(5-methyl-1-piperidin-4-yltriazol-4-yl)-4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?
The InChIKey is ZXHMNYFGHICLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N9O.ClH/c1-16-25(31-32-35(16)20-4-7-28-8-5-20)18-10-24(26-19(11-27)12-30-34(26)15-18)36-17(2)22-13-29-14-23-21(22)6-9-33(23)3;/h6,9-10,12-15,17,20,28H,4-5,7-8H2,1-3H3;1H.
What are the key properties of 6-(5-methyl-1-piperidin-4-yltriazol-4-yl)-4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?
6-(5-methyl-1-piperidin-4-yltriazol-4-yl)-4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride has a molecular weight of 518.03 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-1-piperidin-4-yltriazol-4-yl)-4-[1-(1-methylpyrrolo[2,3-c]pyridin-4-yl)ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 176863998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).