2-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole

C19H18N6S — CID 131670835

IUPAC2-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESc1cc(-c2ccc3nc(C4CCN(Cc5nccs5)C4)nn3c2)ccn1
InChIInChI=1S/C19H18N6S/c1-2-17-22-19(16-5-9-24(11-16)13-18-21-8-10-26-18)23-25(17)12-15(1)14-3-6-20-7-4-14/h1-4,6-8,10,12,16H,5,9,11,13H2
InChIKeyYGWUSNSHVIEGNM-UHFFFAOYSA-N
MW362.46 g/mol
LogP3.24
Rot. Bonds4

About 2-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole

2-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole (PubChem CID 131670835) has the molecular formula C19H18N6S and a molecular weight of 362.46 g/mol. Its IUPAC name is 2-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
PubChem CID131670835
Molecular FormulaC19H18N6S
Molecular Weight362.46 g/mol
Exact Mass362.13
IUPAC Name2-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole
SMILESc1cc(-c2ccc3nc(C4CCN(Cc5nccs5)C4)nn3c2)ccn1
InChIInChI=1S/C19H18N6S/c1-2-17-22-19(16-5-9-24(11-16)13-18-21-8-10-26-18)23-25(17)12-15(1)14-3-6-20-7-4-14/h1-4,6-8,10,12,16H,5,9,11,13H2
InChIKeyYGWUSNSHVIEGNM-UHFFFAOYSA-N
XLogP3.24
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole with MolForge

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Related Compounds

6-pyridin-4-yl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 131673441
2-[1-[(5-methylthiophen-2-yl)methyl]pyrrolidin-3-yl]-6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 131670819
6-pyridin-4-yl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 171695344
6-pyridin-4-yl-2-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine;tris(2,2,2-trifluoroacetic acid)
CID 155828085
2-[[4-[6-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]piperidin-1-yl]methyl]-1,3-thiazole;2,2,2-trifluoroacetic acid
CID 155831637
2-[1-[(4-fluorophenyl)methyl]piperidin-3-yl]-6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155851279
1-[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-1-yl]ethanone
CID 131669023
(3-methylthiophen-2-yl)-[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 155865625
N,N-dimethyl-3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155859926
6-(3-fluorophenyl)-2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 97447768
6-(3-fluorophenyl)-2-[1-(pyridin-4-ylmethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155826048
2-(1-cyclobutylpiperidin-3-yl)-6-thiophen-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 131671550

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole (CID 131670835) is 2-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole is c1cc(-c2ccc3nc(C4CCN(Cc5nccs5)C4)nn3c2)ccn1.
What is the InChIKey of 2-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is YGWUSNSHVIEGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6S/c1-2-17-22-19(16-5-9-24(11-16)13-18-21-8-10-26-18)23-25(17)12-15(1)14-3-6-20-7-4-14/h1-4,6-8,10,12,16H,5,9,11,13H2.
What are the key properties of 2-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole?
2-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 362.46 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(6-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)pyrrolidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 131670835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).