8-chloro-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)oxy-6-piperazin-1-ylisoquinoline

C21H19ClFN5O — CID 176567397

IUPAC8-chloro-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)oxy-6-piperazin-1-ylisoquinoline
SMILESCc1cn2cc(Oc3nccc4cc(N5CCNCC5)cc(Cl)c34)cc(F)c2n1
InChIInChI=1S/C21H19ClFN5O/c1-13-11-28-12-16(10-18(23)20(28)26-13)29-21-19-14(2-3-25-21)8-15(9-17(19)22)27-6-4-24-5-7-27/h2-3,8-12,24H,4-7H2,1H3
InChIKeyLTIGNKWJGOFQNI-UHFFFAOYSA-N
MW411.87 g/mol
LogP4.19
Rot. Bonds3

About 8-chloro-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)oxy-6-piperazin-1-ylisoquinoline

8-chloro-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)oxy-6-piperazin-1-ylisoquinoline (PubChem CID 176567397) has the molecular formula C21H19ClFN5O and a molecular weight of 411.87 g/mol. Its IUPAC name is 8-chloro-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)oxy-6-piperazin-1-ylisoquinoline.

Molecular Properties

Compound Name8-chloro-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)oxy-6-piperazin-1-ylisoquinoline
PubChem CID176567397
Molecular FormulaC21H19ClFN5O
Molecular Weight411.87 g/mol
Exact Mass411.13
IUPAC Name8-chloro-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)oxy-6-piperazin-1-ylisoquinoline
SMILESCc1cn2cc(Oc3nccc4cc(N5CCNCC5)cc(Cl)c34)cc(F)c2n1
InChIInChI=1S/C21H19ClFN5O/c1-13-11-28-12-16(10-18(23)20(28)26-13)29-21-19-14(2-3-25-21)8-15(9-17(19)22)27-6-4-24-5-7-27/h2-3,8-12,24H,4-7H2,1H3
InChIKeyLTIGNKWJGOFQNI-UHFFFAOYSA-N
XLogP4.19
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.87
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)oxy-6-piperazin-1-ylisoquinoline?
The IUPAC name of 8-chloro-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)oxy-6-piperazin-1-ylisoquinoline (CID 176567397) is 8-chloro-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)oxy-6-piperazin-1-ylisoquinoline.
What is the SMILES notation for 8-chloro-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)oxy-6-piperazin-1-ylisoquinoline?
The canonical SMILES for 8-chloro-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)oxy-6-piperazin-1-ylisoquinoline is Cc1cn2cc(Oc3nccc4cc(N5CCNCC5)cc(Cl)c34)cc(F)c2n1.
What is the InChIKey of 8-chloro-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)oxy-6-piperazin-1-ylisoquinoline?
The InChIKey is LTIGNKWJGOFQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClFN5O/c1-13-11-28-12-16(10-18(23)20(28)26-13)29-21-19-14(2-3-25-21)8-15(9-17(19)22)27-6-4-24-5-7-27/h2-3,8-12,24H,4-7H2,1H3.
What are the key properties of 8-chloro-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)oxy-6-piperazin-1-ylisoquinoline?
8-chloro-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)oxy-6-piperazin-1-ylisoquinoline has a molecular weight of 411.87 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)oxy-6-piperazin-1-ylisoquinoline is sourced from PubChem (CID 176567397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).