5-[4-(3-fluorocyclobutyl)sulfanyl-3-pyridinyl]indolizine-8-carbonitrile

C18H14FN3S — CID 175698466

IUPAC5-[4-(3-fluorocyclobutyl)sulfanyl-3-pyridinyl]indolizine-8-carbonitrile
SMILESN#Cc1ccc(-c2cnccc2SC2CC(F)C2)n2cccc12
InChIInChI=1S/C18H14FN3S/c19-13-8-14(9-13)23-18-5-6-21-11-15(18)17-4-3-12(10-20)16-2-1-7-22(16)17/h1-7,11,13-14H,8-9H2
InChIKeyCAIJPPPVESODOQ-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.47
Rot. Bonds3

About 5-[4-(3-fluorocyclobutyl)sulfanyl-3-pyridinyl]indolizine-8-carbonitrile

5-[4-(3-fluorocyclobutyl)sulfanyl-3-pyridinyl]indolizine-8-carbonitrile (PubChem CID 175698466) has the molecular formula C18H14FN3S and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-[4-(3-fluorocyclobutyl)sulfanyl-3-pyridinyl]indolizine-8-carbonitrile.

Molecular Properties

Compound Name5-[4-(3-fluorocyclobutyl)sulfanyl-3-pyridinyl]indolizine-8-carbonitrile
PubChem CID175698466
Molecular FormulaC18H14FN3S
Molecular Weight323.40 g/mol
Exact Mass323.09
IUPAC Name5-[4-(3-fluorocyclobutyl)sulfanyl-3-pyridinyl]indolizine-8-carbonitrile
SMILESN#Cc1ccc(-c2cnccc2SC2CC(F)C2)n2cccc12
InChIInChI=1S/C18H14FN3S/c19-13-8-14(9-13)23-18-5-6-21-11-15(18)17-4-3-12(10-20)16-2-1-7-22(16)17/h1-7,11,13-14H,8-9H2
InChIKeyCAIJPPPVESODOQ-UHFFFAOYSA-N
XLogP4.47
TPSA41.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-fluorocyclobutyl)sulfanyl-3-pyridinyl]indolizine-8-carbonitrile?
The IUPAC name of 5-[4-(3-fluorocyclobutyl)sulfanyl-3-pyridinyl]indolizine-8-carbonitrile (CID 175698466) is 5-[4-(3-fluorocyclobutyl)sulfanyl-3-pyridinyl]indolizine-8-carbonitrile.
What is the SMILES notation for 5-[4-(3-fluorocyclobutyl)sulfanyl-3-pyridinyl]indolizine-8-carbonitrile?
The canonical SMILES for 5-[4-(3-fluorocyclobutyl)sulfanyl-3-pyridinyl]indolizine-8-carbonitrile is N#Cc1ccc(-c2cnccc2SC2CC(F)C2)n2cccc12.
What is the InChIKey of 5-[4-(3-fluorocyclobutyl)sulfanyl-3-pyridinyl]indolizine-8-carbonitrile?
The InChIKey is CAIJPPPVESODOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3S/c19-13-8-14(9-13)23-18-5-6-21-11-15(18)17-4-3-12(10-20)16-2-1-7-22(16)17/h1-7,11,13-14H,8-9H2.
What are the key properties of 5-[4-(3-fluorocyclobutyl)sulfanyl-3-pyridinyl]indolizine-8-carbonitrile?
5-[4-(3-fluorocyclobutyl)sulfanyl-3-pyridinyl]indolizine-8-carbonitrile has a molecular weight of 323.40 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-fluorocyclobutyl)sulfanyl-3-pyridinyl]indolizine-8-carbonitrile is sourced from PubChem (CID 175698466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).