3-[1-methyl-4-(pyridin-4-ylmethyl)piperazin-2-yl]-6-thiophen-3-yltriazolo[1,5-a]pyridine

C21H22N6S — CID 131671057

IUPAC3-[1-methyl-4-(pyridin-4-ylmethyl)piperazin-2-yl]-6-thiophen-3-yltriazolo[1,5-a]pyridine
SMILESCN1CCN(Cc2ccncc2)CC1c1nnn2cc(-c3ccsc3)ccc12
InChIInChI=1S/C21H22N6S/c1-25-9-10-26(12-16-4-7-22-8-5-16)14-20(25)21-19-3-2-17(13-27(19)24-23-21)18-6-11-28-15-18/h2-8,11,13,15,20H,9-10,12,14H2,1H3
InChIKeyJGJSEJBLDPAEER-UHFFFAOYSA-N
MW390.52 g/mol
LogP3.34
Rot. Bonds4

About 3-[1-methyl-4-(pyridin-4-ylmethyl)piperazin-2-yl]-6-thiophen-3-yltriazolo[1,5-a]pyridine

3-[1-methyl-4-(pyridin-4-ylmethyl)piperazin-2-yl]-6-thiophen-3-yltriazolo[1,5-a]pyridine (PubChem CID 131671057) has the molecular formula C21H22N6S and a molecular weight of 390.52 g/mol. Its IUPAC name is 3-[1-methyl-4-(pyridin-4-ylmethyl)piperazin-2-yl]-6-thiophen-3-yltriazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[1-methyl-4-(pyridin-4-ylmethyl)piperazin-2-yl]-6-thiophen-3-yltriazolo[1,5-a]pyridine
PubChem CID131671057
Molecular FormulaC21H22N6S
Molecular Weight390.52 g/mol
Exact Mass390.16
IUPAC Name3-[1-methyl-4-(pyridin-4-ylmethyl)piperazin-2-yl]-6-thiophen-3-yltriazolo[1,5-a]pyridine
SMILESCN1CCN(Cc2ccncc2)CC1c1nnn2cc(-c3ccsc3)ccc12
InChIInChI=1S/C21H22N6S/c1-25-9-10-26(12-16-4-7-22-8-5-16)14-20(25)21-19-3-2-17(13-27(19)24-23-21)18-6-11-28-15-18/h2-8,11,13,15,20H,9-10,12,14H2,1H3
InChIKeyJGJSEJBLDPAEER-UHFFFAOYSA-N
XLogP3.34
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.52
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-[(4-fluorophenyl)methyl]-1-methylpiperazin-2-yl]-6-pyridin-4-yltriazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 171694661
3-[4-[(4-methoxyphenyl)methyl]-1-methylpiperazin-2-yl]-6-pyridin-4-yltriazolo[1,5-a]pyridine;tris(2,2,2-trifluoroacetic acid)
CID 155844682
1-[1-methyl-4-(pyridin-4-ylmethyl)piperazin-2-yl]-6-phenylimidazo[1,5-a]pyridine
CID 131673402
6-(2-methoxyphenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 171693714
2-[[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]methyl]-1,3-thiazole
CID 131673407
4-[(4-methoxyphenyl)methyl]-2-[6-(4-methoxyphenyl)triazolo[1,5-a]pyridin-3-yl]morpholine
CID 131673621
(6R)-4-propyl-1-(pyridin-4-ylmethyl)-6-[(4-pyridin-4-ylphenyl)methyl]-1,4-diazepan-5-one
CID 92587097
2-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]-5-thiophen-3-yl-1,3,4-oxadiazole
CID 110217557
1-(pyridin-4-ylmethyl)-4-[[4-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]phenyl]methyl]piperazine
CID 132515507
(3aR,7aR)-2-(pyridin-4-ylmethyl)-5-thiophen-3-yl-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 97403168
1-methyl-4-(pyridin-4-ylmethyl)-9-(thiophen-3-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97373388
3-(4-benzyl-1-methylpiperazin-2-yl)-N-(pyridin-4-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 134068878

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-4-(pyridin-4-ylmethyl)piperazin-2-yl]-6-thiophen-3-yltriazolo[1,5-a]pyridine?
The IUPAC name of 3-[1-methyl-4-(pyridin-4-ylmethyl)piperazin-2-yl]-6-thiophen-3-yltriazolo[1,5-a]pyridine (CID 131671057) is 3-[1-methyl-4-(pyridin-4-ylmethyl)piperazin-2-yl]-6-thiophen-3-yltriazolo[1,5-a]pyridine.
What is the SMILES notation for 3-[1-methyl-4-(pyridin-4-ylmethyl)piperazin-2-yl]-6-thiophen-3-yltriazolo[1,5-a]pyridine?
The canonical SMILES for 3-[1-methyl-4-(pyridin-4-ylmethyl)piperazin-2-yl]-6-thiophen-3-yltriazolo[1,5-a]pyridine is CN1CCN(Cc2ccncc2)CC1c1nnn2cc(-c3ccsc3)ccc12.
What is the InChIKey of 3-[1-methyl-4-(pyridin-4-ylmethyl)piperazin-2-yl]-6-thiophen-3-yltriazolo[1,5-a]pyridine?
The InChIKey is JGJSEJBLDPAEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6S/c1-25-9-10-26(12-16-4-7-22-8-5-16)14-20(25)21-19-3-2-17(13-27(19)24-23-21)18-6-11-28-15-18/h2-8,11,13,15,20H,9-10,12,14H2,1H3.
What are the key properties of 3-[1-methyl-4-(pyridin-4-ylmethyl)piperazin-2-yl]-6-thiophen-3-yltriazolo[1,5-a]pyridine?
3-[1-methyl-4-(pyridin-4-ylmethyl)piperazin-2-yl]-6-thiophen-3-yltriazolo[1,5-a]pyridine has a molecular weight of 390.52 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-4-(pyridin-4-ylmethyl)piperazin-2-yl]-6-thiophen-3-yltriazolo[1,5-a]pyridine is sourced from PubChem (CID 131671057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).