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

C23H24N6 — CID 131671067

IUPAC3-[1-methyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]-6-phenyltriazolo[1,5-a]pyridine
SMILESCN1CCN(Cc2cccnc2)CC1c1nnn2cc(-c3ccccc3)ccc12
InChIInChI=1S/C23H24N6/c1-27-12-13-28(15-18-6-5-11-24-14-18)17-22(27)23-21-10-9-20(16-29(21)26-25-23)19-7-3-2-4-8-19/h2-11,14,16,22H,12-13,15,17H2,1H3
InChIKeyMSJAUKZGTUZZMJ-UHFFFAOYSA-N
MW384.49 g/mol
LogP3.28
Rot. Bonds4

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

3-[1-methyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]-6-phenyltriazolo[1,5-a]pyridine (PubChem CID 131671067) has the molecular formula C23H24N6 and a molecular weight of 384.49 g/mol. Its IUPAC name is 3-[1-methyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]-6-phenyltriazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[1-methyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]-6-phenyltriazolo[1,5-a]pyridine
PubChem CID131671067
Molecular FormulaC23H24N6
Molecular Weight384.49 g/mol
Exact Mass384.21
IUPAC Name3-[1-methyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]-6-phenyltriazolo[1,5-a]pyridine
SMILESCN1CCN(Cc2cccnc2)CC1c1nnn2cc(-c3ccccc3)ccc12
InChIInChI=1S/C23H24N6/c1-27-12-13-28(15-18-6-5-11-24-14-18)17-22(27)23-21-10-9-20(16-29(21)26-25-23)19-7-3-2-4-8-19/h2-11,14,16,22H,12-13,15,17H2,1H3
InChIKeyMSJAUKZGTUZZMJ-UHFFFAOYSA-N
XLogP3.28
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.49
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[1-methyl-4-(pyridin-4-ylmethyl)piperazin-2-yl]-6-thiophen-3-yltriazolo[1,5-a]pyridine
CID 131671057
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
1-[1-methyl-4-(pyridin-4-ylmethyl)piperazin-2-yl]-6-phenylimidazo[1,5-a]pyridine
CID 131673402
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
4-(pyridin-3-ylmethyl)-2-(6-pyridin-3-yltriazolo[1,5-a]pyridin-3-yl)morpholine;tris(2,2,2-trifluoroacetic acid)
CID 155825843
6-(3-fluorophenyl)-3-[1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperazin-2-yl]triazolo[1,5-a]pyridine;2,2,2-trifluoroacetic acid
CID 171697135
6-(2-methoxyphenyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine
CID 131673667
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
6-(2-methoxyphenyl)-3-[1-methyl-4-(pyridin-2-ylmethyl)piperazin-2-yl]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 171692989
2-(4-methoxyphenyl)-1-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 110098244
6-(3-fluorophenyl)-3-[1-(pyridin-3-ylmethyl)pyrrolidin-2-yl]triazolo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155851702

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]-6-phenyltriazolo[1,5-a]pyridine?
The IUPAC name of 3-[1-methyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]-6-phenyltriazolo[1,5-a]pyridine (CID 131671067) is 3-[1-methyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]-6-phenyltriazolo[1,5-a]pyridine.
What is the SMILES notation for 3-[1-methyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]-6-phenyltriazolo[1,5-a]pyridine?
The canonical SMILES for 3-[1-methyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]-6-phenyltriazolo[1,5-a]pyridine is CN1CCN(Cc2cccnc2)CC1c1nnn2cc(-c3ccccc3)ccc12.
What is the InChIKey of 3-[1-methyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]-6-phenyltriazolo[1,5-a]pyridine?
The InChIKey is MSJAUKZGTUZZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6/c1-27-12-13-28(15-18-6-5-11-24-14-18)17-22(27)23-21-10-9-20(16-29(21)26-25-23)19-7-3-2-4-8-19/h2-11,14,16,22H,12-13,15,17H2,1H3.
What are the key properties of 3-[1-methyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]-6-phenyltriazolo[1,5-a]pyridine?
3-[1-methyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]-6-phenyltriazolo[1,5-a]pyridine has a molecular weight of 384.49 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]-6-phenyltriazolo[1,5-a]pyridine is sourced from PubChem (CID 131671067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).