6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-piperidin-4-ylquinolin-3-amine

C24H24N8S — CID 89443347

IUPAC6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-piperidin-4-ylquinolin-3-amine
SMILESCn1cc(-c2ccc3nnc(Sc4ccc5ncc(NC6CCNCC6)cc5c4)n3c2)cn1
InChIInChI=1S/C24H24N8S/c1-31-14-18(12-27-31)16-2-5-23-29-30-24(32(23)15-16)33-21-3-4-22-17(11-21)10-20(13-26-22)28-19-6-8-25-9-7-19/h2-5,10-15,19,25,28H,6-9H2,1H3
InChIKeyCNTWESABJIWHCV-UHFFFAOYSA-N
MW456.58 g/mol
LogP3.99
Rot. Bonds5

About 6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-piperidin-4-ylquinolin-3-amine

6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-piperidin-4-ylquinolin-3-amine (PubChem CID 89443347) has the molecular formula C24H24N8S and a molecular weight of 456.58 g/mol. Its IUPAC name is 6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-piperidin-4-ylquinolin-3-amine.

Molecular Properties

Compound Name6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-piperidin-4-ylquinolin-3-amine
PubChem CID89443347
Molecular FormulaC24H24N8S
Molecular Weight456.58 g/mol
Exact Mass456.18
IUPAC Name6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-piperidin-4-ylquinolin-3-amine
SMILESCn1cc(-c2ccc3nnc(Sc4ccc5ncc(NC6CCNCC6)cc5c4)n3c2)cn1
InChIInChI=1S/C24H24N8S/c1-31-14-18(12-27-31)16-2-5-23-29-30-24(32(23)15-16)33-21-3-4-22-17(11-21)10-20(13-26-22)28-19-6-8-25-9-7-19/h2-5,10-15,19,25,28H,6-9H2,1H3
InChIKeyCNTWESABJIWHCV-UHFFFAOYSA-N
XLogP3.99
TPSA84.96 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.58
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-piperidin-4-ylquinolin-3-amine with MolForge

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Related Compounds

Sgx-523
CID 24779724
3-(2-Amino-1,3-Benzothiazol-6-Yl)-1-{[2-(4-Methylpiperazin-1-Yl)quinolin-3-Yl]methyl}-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 44475990
2-(6-(6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-ylthio)quinolin-3-ylamino)ethanol
CID 86696263
3-(1-Methylpyrazol-4-yl)-6-[1-(5-pyridin-4-yltriazolo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 137636605
5-[({Imidazo[1,2-a]pyridin-2-yl}methyl)sulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 17437959
6-[[5-(1-Piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 45381122
1-(2-([1,2,4]Triazolo[4,3-a]pyridin-3-yl)quinolin-8-yl)piperidin-4-amine
CID 46178825
5-[({Imidazo[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-2-methyl-[1,2,4]triazolo[1,5-c]quinazoline
CID 54581526
2-methyl-5-((1-methyl-4-phenyl-1H-imidazol-2-yl)methylthio)-[1,2,4]triazolo[1,5-c]quinazoline
CID 54584475
N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-4-methylsulfanylaniline
CID 54767245
6-[[6-(1-Piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 57406220
6-[6-[[6-(1-Methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]-2-oxa-6-azaspiro[3.3]heptane
CID 71534666

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-piperidin-4-ylquinolin-3-amine?
The IUPAC name of 6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-piperidin-4-ylquinolin-3-amine (CID 89443347) is 6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-piperidin-4-ylquinolin-3-amine.
What is the SMILES notation for 6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-piperidin-4-ylquinolin-3-amine?
The canonical SMILES for 6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-piperidin-4-ylquinolin-3-amine is Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(NC6CCNCC6)cc5c4)n3c2)cn1.
What is the InChIKey of 6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-piperidin-4-ylquinolin-3-amine?
The InChIKey is CNTWESABJIWHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8S/c1-31-14-18(12-27-31)16-2-5-23-29-30-24(32(23)15-16)33-21-3-4-22-17(11-21)10-20(13-26-22)28-19-6-8-25-9-7-19/h2-5,10-15,19,25,28H,6-9H2,1H3.
What are the key properties of 6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-piperidin-4-ylquinolin-3-amine?
6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-piperidin-4-ylquinolin-3-amine has a molecular weight of 456.58 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]-N-piperidin-4-ylquinolin-3-amine is sourced from PubChem (CID 89443347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).