7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethoxy)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride

C24H24ClF3N8O2 — CID 175872860

IUPAC7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethoxy)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride
SMILESCc1c(-c2cc(OC(C)c3cncc(OC(F)(F)F)c3)n3c(C#N)cnc3c2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C24H23F3N8O2.ClH/c1-14-23(32-33-35(14)18-3-5-29-6-4-18)16-8-21-31-12-19(10-28)34(21)22(9-16)36-15(2)17-7-20(13-30-11-17)37-24(25,26)27;/h7-9,11-13,15,18,29H,3-6H2,1-2H3;1H
InChIKeyUXMZUKHDQCPPIS-UHFFFAOYSA-N
MW548.96 g/mol
LogP4.55
Rot. Bonds6

About 7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethoxy)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride

7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethoxy)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride (PubChem CID 175872860) has the molecular formula C24H24ClF3N8O2 and a molecular weight of 548.96 g/mol. Its IUPAC name is 7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethoxy)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethoxy)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride
PubChem CID175872860
Molecular FormulaC24H24ClF3N8O2
Molecular Weight548.96 g/mol
Exact Mass548.17
IUPAC Name7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethoxy)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride
SMILESCc1c(-c2cc(OC(C)c3cncc(OC(F)(F)F)c3)n3c(C#N)cnc3c2)nnn1C1CCNCC1.Cl
InChIInChI=1S/C24H23F3N8O2.ClH/c1-14-23(32-33-35(14)18-3-5-29-6-4-18)16-8-21-31-12-19(10-28)34(21)22(9-16)36-15(2)17-7-20(13-30-11-17)37-24(25,26)27;/h7-9,11-13,15,18,29H,3-6H2,1-2H3;1H
InChIKeyUXMZUKHDQCPPIS-UHFFFAOYSA-N
XLogP4.55
TPSA115.18 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.96
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethoxy)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride?
The IUPAC name of 7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethoxy)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride (CID 175872860) is 7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethoxy)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride.
What is the SMILES notation for 7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethoxy)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride?
The canonical SMILES for 7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethoxy)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride is Cc1c(-c2cc(OC(C)c3cncc(OC(F)(F)F)c3)n3c(C#N)cnc3c2)nnn1C1CCNCC1.Cl.
What is the InChIKey of 7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethoxy)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride?
The InChIKey is UXMZUKHDQCPPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N8O2.ClH/c1-14-23(32-33-35(14)18-3-5-29-6-4-18)16-8-21-31-12-19(10-28)34(21)22(9-16)36-15(2)17-7-20(13-30-11-17)37-24(25,26)27;/h7-9,11-13,15,18,29H,3-6H2,1-2H3;1H.
What are the key properties of 7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethoxy)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride?
7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethoxy)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride has a molecular weight of 548.96 g/mol, XLogP of 4.55, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-methyl-1-piperidin-4-yltriazol-4-yl)-5-[1-[5-(trifluoromethoxy)-3-pyridinyl]ethoxy]imidazo[1,2-a]pyridine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 175872860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).