methyl 1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate

C16H15N9O2 — CID 139487849

IUPACmethyl 1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate
SMILESCOC(=O)c1cn(Cc2cn3cc(C4CC4)cc(-n4cnnn4)c3n2)nn1
InChIInChI=1S/C16H15N9O2/c1-27-16(26)13-8-24(21-19-13)7-12-6-23-5-11(10-2-3-10)4-14(15(23)18-12)25-9-17-20-22-25/h4-6,8-10H,2-3,7H2,1H3
InChIKeyILBJREWEDWCCRT-UHFFFAOYSA-N
MW365.36 g/mol
LogP0.61
Rot. Bonds5

About methyl 1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate

methyl 1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate (PubChem CID 139487849) has the molecular formula C16H15N9O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is methyl 1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate
PubChem CID139487849
Molecular FormulaC16H15N9O2
Molecular Weight365.36 g/mol
Exact Mass365.13
IUPAC Namemethyl 1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate
SMILESCOC(=O)c1cn(Cc2cn3cc(C4CC4)cc(-n4cnnn4)c3n2)nn1
InChIInChI=1S/C16H15N9O2/c1-27-16(26)13-8-24(21-19-13)7-12-6-23-5-11(10-2-3-10)4-14(15(23)18-12)25-9-17-20-22-25/h4-6,8-10H,2-3,7H2,1H3
InChIKeyILBJREWEDWCCRT-UHFFFAOYSA-N
XLogP0.61
TPSA117.91 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.36
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze methyl 1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate?
The IUPAC name of methyl 1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate (CID 139487849) is methyl 1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate.
What is the SMILES notation for methyl 1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate?
The canonical SMILES for methyl 1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate is COC(=O)c1cn(Cc2cn3cc(C4CC4)cc(-n4cnnn4)c3n2)nn1.
What is the InChIKey of methyl 1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate?
The InChIKey is ILBJREWEDWCCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N9O2/c1-27-16(26)13-8-24(21-19-13)7-12-6-23-5-11(10-2-3-10)4-14(15(23)18-12)25-9-17-20-22-25/h4-6,8-10H,2-3,7H2,1H3.
What are the key properties of methyl 1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate?
methyl 1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate has a molecular weight of 365.36 g/mol, XLogP of 0.61, 5 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[6-cyclopropyl-8-(tetrazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate is sourced from PubChem (CID 139487849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).