2-[[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-5-methylimidazo[1,2-a]pyridine

C19H26N6 — CID 95345632

IUPAC2-[[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-5-methylimidazo[1,2-a]pyridine
SMILESCc1nc(C)n(C[C@@H]2CCCN(Cc3cn4c(C)cccc4n3)C2)n1
InChIInChI=1S/C19H26N6/c1-14-6-4-8-19-21-18(13-24(14)19)12-23-9-5-7-17(10-23)11-25-16(3)20-15(2)22-25/h4,6,8,13,17H,5,7,9-12H2,1-3H3/t17-/m1/s1
InChIKeyZYOTUCJEACHVBD-QGZVFWFLSA-N
MW338.46 g/mol
LogP2.76
Rot. Bonds4

About 2-[[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-5-methylimidazo[1,2-a]pyridine

2-[[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-5-methylimidazo[1,2-a]pyridine (PubChem CID 95345632) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-[[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-5-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-5-methylimidazo[1,2-a]pyridine
PubChem CID95345632
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC Name2-[[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-5-methylimidazo[1,2-a]pyridine
SMILESCc1nc(C)n(C[C@@H]2CCCN(Cc3cn4c(C)cccc4n3)C2)n1
InChIInChI=1S/C19H26N6/c1-14-6-4-8-19-21-18(13-24(14)19)12-23-9-5-7-17(10-23)11-25-16(3)20-15(2)22-25/h4,6,8,13,17H,5,7,9-12H2,1-3H3/t17-/m1/s1
InChIKeyZYOTUCJEACHVBD-QGZVFWFLSA-N
XLogP2.76
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-5-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-[[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-5-methylimidazo[1,2-a]pyridine (CID 95345632) is 2-[[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-5-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-5-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-5-methylimidazo[1,2-a]pyridine is Cc1nc(C)n(C[C@@H]2CCCN(Cc3cn4c(C)cccc4n3)C2)n1.
What is the InChIKey of 2-[[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-5-methylimidazo[1,2-a]pyridine?
The InChIKey is ZYOTUCJEACHVBD-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H26N6/c1-14-6-4-8-19-21-18(13-24(14)19)12-23-9-5-7-17(10-23)11-25-16(3)20-15(2)22-25/h4,6,8,13,17H,5,7,9-12H2,1-3H3/t17-/m1/s1.
What are the key properties of 2-[[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-5-methylimidazo[1,2-a]pyridine?
2-[[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-5-methylimidazo[1,2-a]pyridine has a molecular weight of 338.46 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-5-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 95345632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).