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

C24H24N8S — CID 71534670

IUPAC1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-amine
SMILESCn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCC(N)CC6)cc5c4)n3c2)cn1
InChIInChI=1S/C24H24N8S/c1-30-14-18(12-27-30)16-2-5-23-28-29-24(32(23)15-16)33-21-3-4-22-17(11-21)10-20(13-26-22)31-8-6-19(25)7-9-31/h2-5,10-15,19H,6-9,25H2,1H3
InChIKeyRFBXKLIIPVQMDB-UHFFFAOYSA-N
MW456.58 g/mol
LogP3.76
Rot. Bonds4

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

1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-amine (PubChem CID 71534670) has the molecular formula C24H24N8S and a molecular weight of 456.58 g/mol. Its IUPAC name is 1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-amine
PubChem CID71534670
Molecular FormulaC24H24N8S
Molecular Weight456.58 g/mol
Exact Mass456.18
IUPAC Name1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-amine
SMILESCn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCC(N)CC6)cc5c4)n3c2)cn1
InChIInChI=1S/C24H24N8S/c1-30-14-18(12-27-30)16-2-5-23-28-29-24(32(23)15-16)33-21-3-4-22-17(11-21)10-20(13-26-22)31-8-6-19(25)7-9-31/h2-5,10-15,19H,6-9,25H2,1H3
InChIKeyRFBXKLIIPVQMDB-UHFFFAOYSA-N
XLogP3.76
TPSA90.16 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.58
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-amine?
The IUPAC name of 1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-amine (CID 71534670) is 1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-amine is Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCC(N)CC6)cc5c4)n3c2)cn1.
What is the InChIKey of 1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-amine?
The InChIKey is RFBXKLIIPVQMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8S/c1-30-14-18(12-27-30)16-2-5-23-28-29-24(32(23)15-16)33-21-3-4-22-17(11-21)10-20(13-26-22)31-8-6-19(25)7-9-31/h2-5,10-15,19H,6-9,25H2,1H3.
What are the key properties of 1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-amine?
1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-amine has a molecular weight of 456.58 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]sulfanyl]quinolin-3-yl]piperidin-4-amine is sourced from PubChem (CID 71534670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).