7-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)isoquinoline

C17H13N3S — CID 166359625

IUPAC7-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)isoquinoline
SMILESc1ccn2c(SCc3ccc4ccncc4c3)ncc2c1
InChIInChI=1S/C17H13N3S/c1-2-8-20-16(3-1)11-19-17(20)21-12-13-4-5-14-6-7-18-10-15(14)9-13/h1-11H,12H2
InChIKeyDHSIRLYWIHIKFJ-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.17
Rot. Bonds3

About 7-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)isoquinoline

7-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)isoquinoline (PubChem CID 166359625) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is 7-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)isoquinoline.

Molecular Properties

Compound Name7-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)isoquinoline
PubChem CID166359625
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC Name7-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)isoquinoline
SMILESc1ccn2c(SCc3ccc4ccncc4c3)ncc2c1
InChIInChI=1S/C17H13N3S/c1-2-8-20-16(3-1)11-19-17(20)21-12-13-4-5-14-6-7-18-10-15(14)9-13/h1-11H,12H2
InChIKeyDHSIRLYWIHIKFJ-UHFFFAOYSA-N
XLogP4.17
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)isoquinoline?
The IUPAC name of 7-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)isoquinoline (CID 166359625) is 7-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)isoquinoline.
What is the SMILES notation for 7-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)isoquinoline?
The canonical SMILES for 7-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)isoquinoline is c1ccn2c(SCc3ccc4ccncc4c3)ncc2c1.
What is the InChIKey of 7-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)isoquinoline?
The InChIKey is DHSIRLYWIHIKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3S/c1-2-8-20-16(3-1)11-19-17(20)21-12-13-4-5-14-6-7-18-10-15(14)9-13/h1-11H,12H2.
What are the key properties of 7-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)isoquinoline?
7-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)isoquinoline has a molecular weight of 291.38 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(imidazo[1,5-a]pyridin-3-ylsulfanylmethyl)isoquinoline is sourced from PubChem (CID 166359625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).