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

C25H26N8S — CID 71537208

IUPACN-(1-methylpiperidin-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-amine
SMILESCN1CCC(Nc2cnc3ccc(Sc4nnc5ccc(-c6cnn(C)c6)cn45)cc3c2)CC1
InChIInChI=1S/C25H26N8S/c1-31-9-7-20(8-10-31)28-21-11-18-12-22(4-5-23(18)26-14-21)34-25-30-29-24-6-3-17(16-33(24)25)19-13-27-32(2)15-19/h3-6,11-16,20,28H,7-10H2,1-2H3
InChIKeyZBAAKUHERHHMAH-UHFFFAOYSA-N
MW470.61 g/mol
LogP4.34
Rot. Bonds5

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

N-(1-methylpiperidin-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-amine (PubChem CID 71537208) has the molecular formula C25H26N8S and a molecular weight of 470.61 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-amine.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-amine
PubChem CID71537208
Molecular FormulaC25H26N8S
Molecular Weight470.61 g/mol
Exact Mass470.20
IUPAC NameN-(1-methylpiperidin-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-amine
SMILESCN1CCC(Nc2cnc3ccc(Sc4nnc5ccc(-c6cnn(C)c6)cn45)cc3c2)CC1
InChIInChI=1S/C25H26N8S/c1-31-9-7-20(8-10-31)28-21-11-18-12-22(4-5-23(18)26-14-21)34-25-30-29-24-6-3-17(16-33(24)25)19-13-27-32(2)15-19/h3-6,11-16,20,28H,7-10H2,1-2H3
InChIKeyZBAAKUHERHHMAH-UHFFFAOYSA-N
XLogP4.34
TPSA76.17 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.61
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-(1-methylpiperidin-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-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 N-(1-methylpiperidin-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-amine?
The IUPAC name of N-(1-methylpiperidin-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-amine (CID 71537208) is N-(1-methylpiperidin-4-yl)-6-[[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 N-(1-methylpiperidin-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-amine?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-amine is CN1CCC(Nc2cnc3ccc(Sc4nnc5ccc(-c6cnn(C)c6)cn45)cc3c2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-amine?
The InChIKey is ZBAAKUHERHHMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8S/c1-31-9-7-20(8-10-31)28-21-11-18-12-22(4-5-23(18)26-14-21)34-25-30-29-24-6-3-17(16-33(24)25)19-13-27-32(2)15-19/h3-6,11-16,20,28H,7-10H2,1-2H3.
What are the key properties of N-(1-methylpiperidin-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-amine?
N-(1-methylpiperidin-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-amine has a molecular weight of 470.61 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-amine is sourced from PubChem (CID 71537208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).