3-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine

C19H21N7 — CID 126910111

IUPAC3-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1ccc2nnc(C3CCN(Cc4cn5ccccc5n4)CC3)n2n1
InChIInChI=1S/C19H21N7/c1-14-5-6-18-21-22-19(26(18)23-14)15-7-10-24(11-8-15)12-16-13-25-9-3-2-4-17(25)20-16/h2-6,9,13,15H,7-8,10-12H2,1H3
InChIKeyVEKMCLUVSKJHSF-UHFFFAOYSA-N
MW347.43 g/mol
LogP2.46
Rot. Bonds3

About 3-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine

3-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 126910111) has the molecular formula C19H21N7 and a molecular weight of 347.43 g/mol. Its IUPAC name is 3-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID126910111
Molecular FormulaC19H21N7
Molecular Weight347.43 g/mol
Exact Mass347.19
IUPAC Name3-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1ccc2nnc(C3CCN(Cc4cn5ccccc5n4)CC3)n2n1
InChIInChI=1S/C19H21N7/c1-14-5-6-18-21-22-19(26(18)23-14)15-7-10-24(11-8-15)12-16-13-25-9-3-2-4-17(25)20-16/h2-6,9,13,15H,7-8,10-12H2,1H3
InChIKeyVEKMCLUVSKJHSF-UHFFFAOYSA-N
XLogP2.46
TPSA63.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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Related Compounds

3-methyl-4-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2,5-oxadiazole
CID 126910227
5-[[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]methyl]-1,2-oxazole
CID 126910270
1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 62918360
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-N-propylpiperidin-4-amine
CID 60820487
2-[(3-bromopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 80677191
ethyl 1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-4-carboxylate
CID 53171810
2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 45366493
N,N-dimethyl-3-[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126912116
1-[2-[4-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]ethyl]pyrimidin-2-one
CID 126910208
[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpiperidin-3-yl]methanamine
CID 114959821
ethyl 2-[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]acetate
CID 134031725
2-imidazo[1,2-a]pyridin-2-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 86924751

Frequently Asked Questions

What is the IUPAC name of 3-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 126910111) is 3-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1ccc2nnc(C3CCN(Cc4cn5ccccc5n4)CC3)n2n1.
What is the InChIKey of 3-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is VEKMCLUVSKJHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7/c1-14-5-6-18-21-22-19(26(18)23-14)15-7-10-24(11-8-15)12-16-13-25-9-3-2-4-17(25)20-16/h2-6,9,13,15H,7-8,10-12H2,1H3.
What are the key properties of 3-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine?
3-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 347.43 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 126910111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).