6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-amine

C19H14FN7S — CID 89443460

IUPAC6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-amine
SMILESCn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc(N)cc5c4)n3c2)cn1
InChIInChI=1S/C19H14FN7S/c1-26-9-13(7-23-26)12-6-16(20)18-24-25-19(27(18)10-12)28-15-2-3-17-11(5-15)4-14(21)8-22-17/h2-10H,21H2,1H3
InChIKeyJVHCCIFSWCSKKF-UHFFFAOYSA-N
MW391.44 g/mol
LogP3.55
Rot. Bonds3

About 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-amine

6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-amine (PubChem CID 89443460) has the molecular formula C19H14FN7S and a molecular weight of 391.44 g/mol. Its IUPAC name is 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-amine.

Molecular Properties

Compound Name6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-amine
PubChem CID89443460
Molecular FormulaC19H14FN7S
Molecular Weight391.44 g/mol
Exact Mass391.10
IUPAC Name6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-amine
SMILESCn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc(N)cc5c4)n3c2)cn1
InChIInChI=1S/C19H14FN7S/c1-26-9-13(7-23-26)12-6-16(20)18-24-25-19(27(18)10-12)28-15-2-3-17-11(5-15)4-14(21)8-22-17/h2-10H,21H2,1H3
InChIKeyJVHCCIFSWCSKKF-UHFFFAOYSA-N
XLogP3.55
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-amine?
The IUPAC name of 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-amine (CID 89443460) is 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-amine.
What is the SMILES notation for 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-amine?
The canonical SMILES for 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-amine is Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc(N)cc5c4)n3c2)cn1.
What is the InChIKey of 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-amine?
The InChIKey is JVHCCIFSWCSKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN7S/c1-26-9-13(7-23-26)12-6-16(20)18-24-25-19(27(18)10-12)28-15-2-3-17-11(5-15)4-14(21)8-22-17/h2-10H,21H2,1H3.
What are the key properties of 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-amine?
6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-amine has a molecular weight of 391.44 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-amine is sourced from PubChem (CID 89443460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).