methyl 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate

C16H17N5O2 — CID 167871381

IUPACmethyl 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
SMILESCOC(=O)C1CCn2c(Cc3cn4ccccc4n3)nnc2C1
InChIInChI=1S/C16H17N5O2/c1-23-16(22)11-5-7-21-14(8-11)18-19-15(21)9-12-10-20-6-3-2-4-13(20)17-12/h2-4,6,10-11H,5,7-9H2,1H3
InChIKeyRHSSDBFDPQSFRI-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.25
Rot. Bonds3

About methyl 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate

methyl 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate (PubChem CID 167871381) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is methyl 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
PubChem CID167871381
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC Namemethyl 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
SMILESCOC(=O)C1CCn2c(Cc3cn4ccccc4n3)nnc2C1
InChIInChI=1S/C16H17N5O2/c1-23-16(22)11-5-7-21-14(8-11)18-19-15(21)9-12-10-20-6-3-2-4-13(20)17-12/h2-4,6,10-11H,5,7-9H2,1H3
InChIKeyRHSSDBFDPQSFRI-UHFFFAOYSA-N
XLogP1.25
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate?
The IUPAC name of methyl 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate (CID 167871381) is methyl 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate is COC(=O)C1CCn2c(Cc3cn4ccccc4n3)nnc2C1.
What is the InChIKey of methyl 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate?
The InChIKey is RHSSDBFDPQSFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-23-16(22)11-5-7-21-14(8-11)18-19-15(21)9-12-10-20-6-3-2-4-13(20)17-12/h2-4,6,10-11H,5,7-9H2,1H3.
What are the key properties of methyl 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate?
methyl 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate is sourced from PubChem (CID 167871381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).