[4-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)-2-pyridinyl] thiohypofluorite

C17H11FN4S — CID 144977079

IUPAC[4-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)-2-pyridinyl] thiohypofluorite
SMILESFSc1cc(-c2ccc(-n3ccc4ccncc43)nc2)ccn1
InChIInChI=1S/C17H11FN4S/c18-23-17-9-13(4-7-20-17)14-1-2-16(21-10-14)22-8-5-12-3-6-19-11-15(12)22/h1-11H
InChIKeyNKFBNEXCNUDLKR-UHFFFAOYSA-N
MW322.37 g/mol
LogP4.46
Rot. Bonds3

About [4-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)-2-pyridinyl] thiohypofluorite

[4-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)-2-pyridinyl] thiohypofluorite (PubChem CID 144977079) has the molecular formula C17H11FN4S and a molecular weight of 322.37 g/mol. Its IUPAC name is [4-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)-2-pyridinyl] thiohypofluorite.

Molecular Properties

Compound Name[4-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)-2-pyridinyl] thiohypofluorite
PubChem CID144977079
Molecular FormulaC17H11FN4S
Molecular Weight322.37 g/mol
Exact Mass322.07
IUPAC Name[4-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)-2-pyridinyl] thiohypofluorite
SMILESFSc1cc(-c2ccc(-n3ccc4ccncc43)nc2)ccn1
InChIInChI=1S/C17H11FN4S/c18-23-17-9-13(4-7-20-17)14-1-2-16(21-10-14)22-8-5-12-3-6-19-11-15(12)22/h1-11H
InChIKeyNKFBNEXCNUDLKR-UHFFFAOYSA-N
XLogP4.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-fluoro-7-pyrrolo[2,3-c]pyridin-1-yl-2,6-naphthyridine
CID 118577050
N-(2-fluoroethyl)-6-pyrrolo[2,3-c]pyridin-1-ylpyridin-3-amine
CID 118576981
1-[5-[(E)-2-pyridin-4-ylethenyl]-2-pyridinyl]pyrrolo[2,3-c]pyridine
CID 118585650
4-pyrrolo[2,3-c]pyridin-1-ylpyrimidin-2-amine
CID 71580743
6-fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-7-amine
CID 118585652
tributyl-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)stannane
CID 140783416
1-methoxy-7-pyrrolo[2,3-c]pyridin-1-yl-2,6-naphthyridine
CID 118577056
6-fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine
CID 118577045
6-(19F)fluoro-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine
CID 169440714
5-bromo-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde
CID 118576983
1-[5-(1H-pyrazol-5-yl)pyrimidin-2-yl]pyrrolo[2,3-c]pyridine
CID 118577194
8-methyl-3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-amine
CID 144977078

Frequently Asked Questions

What is the IUPAC name of [4-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)-2-pyridinyl] thiohypofluorite?
The IUPAC name of [4-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)-2-pyridinyl] thiohypofluorite (CID 144977079) is [4-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)-2-pyridinyl] thiohypofluorite.
What is the SMILES notation for [4-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)-2-pyridinyl] thiohypofluorite?
The canonical SMILES for [4-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)-2-pyridinyl] thiohypofluorite is FSc1cc(-c2ccc(-n3ccc4ccncc43)nc2)ccn1.
What is the InChIKey of [4-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)-2-pyridinyl] thiohypofluorite?
The InChIKey is NKFBNEXCNUDLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN4S/c18-23-17-9-13(4-7-20-17)14-1-2-16(21-10-14)22-8-5-12-3-6-19-11-15(12)22/h1-11H.
What are the key properties of [4-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)-2-pyridinyl] thiohypofluorite?
[4-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)-2-pyridinyl] thiohypofluorite has a molecular weight of 322.37 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)-2-pyridinyl] thiohypofluorite is sourced from PubChem (CID 144977079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).