1-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phthalazine

C16H12N4S — CID 4577500

IUPAC1-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phthalazine
SMILESc1ccc2c(SCc3cn4ccccc4n3)nncc2c1
InChIInChI=1S/C16H12N4S/c1-2-6-14-12(5-1)9-17-19-16(14)21-11-13-10-20-8-4-3-7-15(20)18-13/h1-10H,11H2
InChIKeyVXWBHULTISEDLA-UHFFFAOYSA-N
MW292.37 g/mol
LogP3.57
Rot. Bonds3

About 1-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phthalazine

1-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phthalazine (PubChem CID 4577500) has the molecular formula C16H12N4S and a molecular weight of 292.37 g/mol. Its IUPAC name is 1-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phthalazine.

Molecular Properties

Compound Name1-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phthalazine
PubChem CID4577500
Molecular FormulaC16H12N4S
Molecular Weight292.37 g/mol
Exact Mass292.08
IUPAC Name1-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phthalazine
SMILESc1ccc2c(SCc3cn4ccccc4n3)nncc2c1
InChIInChI=1S/C16H12N4S/c1-2-6-14-12(5-1)9-17-19-16(14)21-11-13-10-20-8-4-3-7-15(20)18-13/h1-10H,11H2
InChIKeyVXWBHULTISEDLA-UHFFFAOYSA-N
XLogP3.57
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phthalazine?
The IUPAC name of 1-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phthalazine (CID 4577500) is 1-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phthalazine.
What is the SMILES notation for 1-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phthalazine?
The canonical SMILES for 1-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phthalazine is c1ccc2c(SCc3cn4ccccc4n3)nncc2c1.
What is the InChIKey of 1-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phthalazine?
The InChIKey is VXWBHULTISEDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4S/c1-2-6-14-12(5-1)9-17-19-16(14)21-11-13-10-20-8-4-3-7-15(20)18-13/h1-10H,11H2.
What are the key properties of 1-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phthalazine?
1-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phthalazine has a molecular weight of 292.37 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(imidazo[1,2-a]pyridin-2-ylmethylsulfanyl)phthalazine is sourced from PubChem (CID 4577500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).