5-(2-cyclopropyl-1-pyridin-2-ylethoxy)-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride

C26H29ClN8O — CID 175872849

IUPAC5-(2-cyclopropyl-1-pyridin-2-ylethoxy)-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride
SMILESCc1c(-c2cc(OC(CC3CC3)c3ccccn3)n3c(C#N)cnc3c2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C26H28N8O.ClH/c1-17-26(31-32-34(17)20-7-10-28-11-8-20)19-13-24-30-16-21(15-27)33(24)25(14-19)35-23(12-18-5-6-18)22-4-2-3-9-29-22;/h2-4,9,13-14,16,18,20,23,28H,5-8,10-12H2,1H3;1H
InChIKeySISZUEJJHAVZMM-UHFFFAOYSA-N
MW505.03 g/mol
LogP4.43
Rot. Bonds7

About 5-(2-cyclopropyl-1-pyridin-2-ylethoxy)-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride

5-(2-cyclopropyl-1-pyridin-2-ylethoxy)-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride (PubChem CID 175872849) has the molecular formula C26H29ClN8O and a molecular weight of 505.03 g/mol. Its IUPAC name is 5-(2-cyclopropyl-1-pyridin-2-ylethoxy)-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name5-(2-cyclopropyl-1-pyridin-2-ylethoxy)-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride
PubChem CID175872849
Molecular FormulaC26H29ClN8O
Molecular Weight505.03 g/mol
Exact Mass504.22
IUPAC Name5-(2-cyclopropyl-1-pyridin-2-ylethoxy)-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride
SMILESCc1c(-c2cc(OC(CC3CC3)c3ccccn3)n3c(C#N)cnc3c2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C26H28N8O.ClH/c1-17-26(31-32-34(17)20-7-10-28-11-8-20)19-13-24-30-16-21(15-27)33(24)25(14-19)35-23(12-18-5-6-18)22-4-2-3-9-29-22;/h2-4,9,13-14,16,18,20,23,28H,5-8,10-12H2,1H3;1H
InChIKeySISZUEJJHAVZMM-UHFFFAOYSA-N
XLogP4.43
TPSA105.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.03
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyl-1-pyridin-2-ylethoxy)-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride?
The IUPAC name of 5-(2-cyclopropyl-1-pyridin-2-ylethoxy)-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride (CID 175872849) is 5-(2-cyclopropyl-1-pyridin-2-ylethoxy)-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride.
What is the SMILES notation for 5-(2-cyclopropyl-1-pyridin-2-ylethoxy)-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride?
The canonical SMILES for 5-(2-cyclopropyl-1-pyridin-2-ylethoxy)-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride is Cc1c(-c2cc(OC(CC3CC3)c3ccccn3)n3c(C#N)cnc3c2)nnn1C1CCNCC1.Cl.
What is the InChIKey of 5-(2-cyclopropyl-1-pyridin-2-ylethoxy)-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride?
The InChIKey is SISZUEJJHAVZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8O.ClH/c1-17-26(31-32-34(17)20-7-10-28-11-8-20)19-13-24-30-16-21(15-27)33(24)25(14-19)35-23(12-18-5-6-18)22-4-2-3-9-29-22;/h2-4,9,13-14,16,18,20,23,28H,5-8,10-12H2,1H3;1H.
What are the key properties of 5-(2-cyclopropyl-1-pyridin-2-ylethoxy)-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride?
5-(2-cyclopropyl-1-pyridin-2-ylethoxy)-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride has a molecular weight of 505.03 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyl-1-pyridin-2-ylethoxy)-7-(5-methyl-1-piperidin-4-yltriazol-4-yl)imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 175872849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).