6-[3-chloro-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]isoquinoline

C18H11ClF3N3O — CID 45280304

IUPAC6-[3-chloro-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]isoquinoline
SMILESCOc1ccc(-c2ccc3cnccc3c2)n2c(Cl)c(C(F)(F)F)nc12
InChIInChI=1S/C18H11ClF3N3O/c1-26-14-5-4-13(11-2-3-12-9-23-7-6-10(12)8-11)25-16(19)15(18(20,21)22)24-17(14)25/h2-9H,1H3
InChIKeyYCKKPSUUTWFQEZ-UHFFFAOYSA-N
MW377.75 g/mol
LogP5.23
Rot. Bonds2

About 6-[3-chloro-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]isoquinoline

6-[3-chloro-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]isoquinoline (PubChem CID 45280304) has the molecular formula C18H11ClF3N3O and a molecular weight of 377.75 g/mol. Its IUPAC name is 6-[3-chloro-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]isoquinoline.

Molecular Properties

Compound Name6-[3-chloro-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]isoquinoline
PubChem CID45280304
Molecular FormulaC18H11ClF3N3O
Molecular Weight377.75 g/mol
Exact Mass377.05
IUPAC Name6-[3-chloro-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]isoquinoline
SMILESCOc1ccc(-c2ccc3cnccc3c2)n2c(Cl)c(C(F)(F)F)nc12
InChIInChI=1S/C18H11ClF3N3O/c1-26-14-5-4-13(11-2-3-12-9-23-7-6-10(12)8-11)25-16(19)15(18(20,21)22)24-17(14)25/h2-9H,1H3
InChIKeyYCKKPSUUTWFQEZ-UHFFFAOYSA-N
XLogP5.23
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.75
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-chloro-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]isoquinoline?
The IUPAC name of 6-[3-chloro-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]isoquinoline (CID 45280304) is 6-[3-chloro-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]isoquinoline.
What is the SMILES notation for 6-[3-chloro-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]isoquinoline?
The canonical SMILES for 6-[3-chloro-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]isoquinoline is COc1ccc(-c2ccc3cnccc3c2)n2c(Cl)c(C(F)(F)F)nc12.
What is the InChIKey of 6-[3-chloro-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]isoquinoline?
The InChIKey is YCKKPSUUTWFQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N3O/c1-26-14-5-4-13(11-2-3-12-9-23-7-6-10(12)8-11)25-16(19)15(18(20,21)22)24-17(14)25/h2-9H,1H3.
What are the key properties of 6-[3-chloro-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]isoquinoline?
6-[3-chloro-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]isoquinoline has a molecular weight of 377.75 g/mol, XLogP of 5.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-chloro-8-methoxy-2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]isoquinoline is sourced from PubChem (CID 45280304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).