2-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine

C16H20N6 — CID 95311243

IUPAC2-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESc1ccn2cc(CN3CCC[C@H](Cn4cncn4)C3)nc2c1
InChIInChI=1S/C16H20N6/c1-2-7-21-11-15(19-16(21)5-1)10-20-6-3-4-14(8-20)9-22-13-17-12-18-22/h1-2,5,7,11-14H,3-4,6,8-10H2/t14-/m0/s1
InChIKeyZJMOAUSTSZVGPH-AWEZNQCLSA-N
MW296.38 g/mol
LogP1.84
Rot. Bonds4

About 2-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine

2-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine (PubChem CID 95311243) has the molecular formula C16H20N6 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
PubChem CID95311243
Molecular FormulaC16H20N6
Molecular Weight296.38 g/mol
Exact Mass296.17
IUPAC Name2-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
SMILESc1ccn2cc(CN3CCC[C@H](Cn4cncn4)C3)nc2c1
InChIInChI=1S/C16H20N6/c1-2-7-21-11-15(19-16(21)5-1)10-20-6-3-4-14(8-20)9-22-13-17-12-18-22/h1-2,5,7,11-14H,3-4,6,8-10H2/t14-/m0/s1
InChIKeyZJMOAUSTSZVGPH-AWEZNQCLSA-N
XLogP1.84
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine (CID 95311243) is 2-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine is c1ccn2cc(CN3CCC[C@H](Cn4cncn4)C3)nc2c1.
What is the InChIKey of 2-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is ZJMOAUSTSZVGPH-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20N6/c1-2-7-21-11-15(19-16(21)5-1)10-20-6-3-4-14(8-20)9-22-13-17-12-18-22/h1-2,5,7,11-14H,3-4,6,8-10H2/t14-/m0/s1.
What are the key properties of 2-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine?
2-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 296.38 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 95311243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).