1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid

C18H20N6O3 — CID 139487717

IUPAC1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(Cc2cn3cc(C4CC4)cc(N4CCOCC4)c3n2)nn1
InChIInChI=1S/C18H20N6O3/c25-18(26)15-11-24(21-20-15)10-14-9-23-8-13(12-1-2-12)7-16(17(23)19-14)22-3-5-27-6-4-22/h7-9,11-12H,1-6,10H2,(H,25,26)
InChIKeyMHMXEEQUAWMBST-UHFFFAOYSA-N
MW368.40 g/mol
LogP1.39
Rot. Bonds5

About 1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid

1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid (PubChem CID 139487717) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid
PubChem CID139487717
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(Cc2cn3cc(C4CC4)cc(N4CCOCC4)c3n2)nn1
InChIInChI=1S/C18H20N6O3/c25-18(26)15-11-24(21-20-15)10-14-9-23-8-13(12-1-2-12)7-16(17(23)19-14)22-3-5-27-6-4-22/h7-9,11-12H,1-6,10H2,(H,25,26)
InChIKeyMHMXEEQUAWMBST-UHFFFAOYSA-N
XLogP1.39
TPSA97.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid (CID 139487717) is 1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid is O=C(O)c1cn(Cc2cn3cc(C4CC4)cc(N4CCOCC4)c3n2)nn1.
What is the InChIKey of 1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid?
The InChIKey is MHMXEEQUAWMBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c25-18(26)15-11-24(21-20-15)10-14-9-23-8-13(12-1-2-12)7-16(17(23)19-14)22-3-5-27-6-4-22/h7-9,11-12H,1-6,10H2,(H,25,26).
What are the key properties of 1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid?
1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid has a molecular weight of 368.40 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-cyclopropyl-8-morpholin-4-ylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 139487717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).