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

C21H22N6S — CID 131673407

IUPAC2-[[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCN1CCN(Cc2nccs2)CC1c1ncn2cc(-c3cccnc3)ccc12
InChIInChI=1S/C21H22N6S/c1-25-8-9-26(14-20-23-7-10-28-20)13-19(25)21-18-5-4-17(12-27(18)15-24-21)16-3-2-6-22-11-16/h2-7,10-12,15,19H,8-9,13-14H2,1H3
InChIKeyCWLBCFBGRJSXFV-UHFFFAOYSA-N
MW390.52 g/mol
LogP3.34
Rot. Bonds4

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

2-[[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 131673407) has the molecular formula C21H22N6S and a molecular weight of 390.52 g/mol. Its IUPAC name is 2-[[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID131673407
Molecular FormulaC21H22N6S
Molecular Weight390.52 g/mol
Exact Mass390.16
IUPAC Name2-[[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESCN1CCN(Cc2nccs2)CC1c1ncn2cc(-c3cccnc3)ccc12
InChIInChI=1S/C21H22N6S/c1-25-8-9-26(14-20-23-7-10-28-20)13-19(25)21-18-5-4-17(12-27(18)15-24-21)16-3-2-6-22-11-16/h2-7,10-12,15,19H,8-9,13-14H2,1H3
InChIKeyCWLBCFBGRJSXFV-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

1-[1-methyl-4-(pyridin-4-ylmethyl)piperazin-2-yl]-6-phenylimidazo[1,5-a]pyridine
CID 131673402
2-(4-methylphenyl)-1-[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]ethanone
CID 131673414
3-[1-methyl-4-(pyridin-3-ylmethyl)piperazin-2-yl]-6-phenyltriazolo[1,5-a]pyridine
CID 131671067
2-[[3-(pyridin-3-ylmethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 127246448
furan-2-yl-[2-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)pyrrolidin-1-yl]methanone
CID 131668798
3-[1-methyl-4-(pyridin-4-ylmethyl)piperazin-2-yl]-6-thiophen-3-yltriazolo[1,5-a]pyridine
CID 131671057
(5aR,9aS)-4-(pyridin-3-ylmethyl)-8-(1,3-thiazol-2-ylmethyl)-2,3,5,5a,6,7,9,9a-octahydropyrido[4,3-f][1,4]oxazepine
CID 97403395
1-[1-(1,3-benzodioxol-5-ylmethyl)pyrrolidin-2-yl]-6-pyridin-3-ylimidazo[1,5-a]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155847039
2-[[3-[5-(4-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]-4-methylpiperazin-1-yl]methyl]-1,3-thiazole;bis(2,2,2-trifluoroacetic acid)
CID 155852445
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
2-(4-methoxyphenyl)-1-methyl-4-(pyridin-3-ylmethyl)piperazine
CID 110098244
2-[[4-methyl-3-(5-pyrrolidin-1-ylimidazo[1,2-a]pyridin-2-yl)piperazin-1-yl]methyl]-1,3-thiazole;tris(2,2,2-trifluoroacetic acid)
CID 155831221

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]methyl]-1,3-thiazole (CID 131673407) is 2-[[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]methyl]-1,3-thiazole is CN1CCN(Cc2nccs2)CC1c1ncn2cc(-c3cccnc3)ccc12.
What is the InChIKey of 2-[[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is CWLBCFBGRJSXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6S/c1-25-8-9-26(14-20-23-7-10-28-20)13-19(25)21-18-5-4-17(12-27(18)15-24-21)16-3-2-6-22-11-16/h2-7,10-12,15,19H,8-9,13-14H2,1H3.
What are the key properties of 2-[[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]methyl]-1,3-thiazole?
2-[[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]methyl]-1,3-thiazole 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 2-[[4-methyl-3-(6-pyridin-3-ylimidazo[1,5-a]pyridin-1-yl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 131673407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).