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

C21H24N6O5 — CID 139487863

IUPAC1-[[6-cyclopropyl-8-(2-ethoxycarbonylmorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
SMILESCCOC(=O)C1CN(c2cc(C3CC3)cn3cc(Cn4cc(C(=O)O)nn4)nc23)CCO1
InChIInChI=1S/C21H24N6O5/c1-2-31-21(30)18-12-25(5-6-32-18)17-7-14(13-3-4-13)8-26-9-15(22-19(17)26)10-27-11-16(20(28)29)23-24-27/h7-9,11,13,18H,2-6,10,12H2,1H3,(H,28,29)
InChIKeyZUYSSOAOLANRPP-UHFFFAOYSA-N
MW440.46 g/mol
LogP1.32
Rot. Bonds7

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

1-[[6-cyclopropyl-8-(2-ethoxycarbonylmorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid (PubChem CID 139487863) has the molecular formula C21H24N6O5 and a molecular weight of 440.46 g/mol. Its IUPAC name is 1-[[6-cyclopropyl-8-(2-ethoxycarbonylmorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[[6-cyclopropyl-8-(2-ethoxycarbonylmorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
PubChem CID139487863
Molecular FormulaC21H24N6O5
Molecular Weight440.46 g/mol
Exact Mass440.18
IUPAC Name1-[[6-cyclopropyl-8-(2-ethoxycarbonylmorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
SMILESCCOC(=O)C1CN(c2cc(C3CC3)cn3cc(Cn4cc(C(=O)O)nn4)nc23)CCO1
InChIInChI=1S/C21H24N6O5/c1-2-31-21(30)18-12-25(5-6-32-18)17-7-14(13-3-4-13)8-26-9-15(22-19(17)26)10-27-11-16(20(28)29)23-24-27/h7-9,11,13,18H,2-6,10,12H2,1H3,(H,28,29)
InChIKeyZUYSSOAOLANRPP-UHFFFAOYSA-N
XLogP1.32
TPSA124.08 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-[[6-cyclopropyl-8-(2-ethoxycarbonylmorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[[6-cyclopropyl-8-(2-ethoxycarbonylmorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid (CID 139487863) is 1-[[6-cyclopropyl-8-(2-ethoxycarbonylmorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[[6-cyclopropyl-8-(2-ethoxycarbonylmorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[[6-cyclopropyl-8-(2-ethoxycarbonylmorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid is CCOC(=O)C1CN(c2cc(C3CC3)cn3cc(Cn4cc(C(=O)O)nn4)nc23)CCO1.
What is the InChIKey of 1-[[6-cyclopropyl-8-(2-ethoxycarbonylmorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
The InChIKey is ZUYSSOAOLANRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O5/c1-2-31-21(30)18-12-25(5-6-32-18)17-7-14(13-3-4-13)8-26-9-15(22-19(17)26)10-27-11-16(20(28)29)23-24-27/h7-9,11,13,18H,2-6,10,12H2,1H3,(H,28,29).
What are the key properties of 1-[[6-cyclopropyl-8-(2-ethoxycarbonylmorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
1-[[6-cyclopropyl-8-(2-ethoxycarbonylmorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid has a molecular weight of 440.46 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-cyclopropyl-8-(2-ethoxycarbonylmorpholin-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 139487863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).