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

C24H27N7O4 — CID 139487561

IUPAC5-tert-butyl-1-[[6-cyclopropyl-8-(4-ethoxycarbonylimidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
SMILESCCOC(=O)c1cn(-c2cc(C3CC3)cn3cc(Cn4nnc(C(=O)O)c4C(C)(C)C)nc23)cn1
InChIInChI=1S/C24H27N7O4/c1-5-35-23(34)17-12-30(13-25-17)18-8-15(14-6-7-14)9-29-10-16(26-21(18)29)11-31-20(24(2,3)4)19(22(32)33)27-28-31/h8-10,12-14H,5-7,11H2,1-4H3,(H,32,33)
InChIKeyZAXHCHLVDIJADZ-UHFFFAOYSA-N
MW477.53 g/mol
LogP3.21
Rot. Bonds7

About 5-tert-butyl-1-[[6-cyclopropyl-8-(4-ethoxycarbonylimidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid

5-tert-butyl-1-[[6-cyclopropyl-8-(4-ethoxycarbonylimidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid (PubChem CID 139487561) has the molecular formula C24H27N7O4 and a molecular weight of 477.53 g/mol. Its IUPAC name is 5-tert-butyl-1-[[6-cyclopropyl-8-(4-ethoxycarbonylimidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-tert-butyl-1-[[6-cyclopropyl-8-(4-ethoxycarbonylimidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
PubChem CID139487561
Molecular FormulaC24H27N7O4
Molecular Weight477.53 g/mol
Exact Mass477.21
IUPAC Name5-tert-butyl-1-[[6-cyclopropyl-8-(4-ethoxycarbonylimidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
SMILESCCOC(=O)c1cn(-c2cc(C3CC3)cn3cc(Cn4nnc(C(=O)O)c4C(C)(C)C)nc23)cn1
InChIInChI=1S/C24H27N7O4/c1-5-35-23(34)17-12-30(13-25-17)18-8-15(14-6-7-14)9-29-10-16(26-21(18)29)11-31-20(24(2,3)4)19(22(32)33)27-28-31/h8-10,12-14H,5-7,11H2,1-4H3,(H,32,33)
InChIKeyZAXHCHLVDIJADZ-UHFFFAOYSA-N
XLogP3.21
TPSA129.43 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

ethyl 6-cyclopropyl-8-(1,2,4-triazol-4-yl)imidazo[1,2-a]pyridine-2-carboxylate
CID 165131953
1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
CID 175752949
ethane;ethyl 8-bromo-6-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate;methanamine
CID 165132115
ethyl 2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate
CID 139487362
1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid
CID 139487588
benzyl 1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate
CID 153431050
5-tert-butyl-1-[(1-methyltriazol-4-yl)methyl]triazole-4-carboxylic acid
CID 107052608
ethyl 2-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate
CID 165131768
5-tert-butyl-1-(pyrazin-2-ylmethyl)triazole-4-carboxylic acid
CID 62058969
ethyl 5-tert-butyl-1-(pyrimidin-2-ylmethyl)triazole-4-carboxylate
CID 103106284
benzyl 1-[[6-cyclopropyl-8-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]oxyimidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate
CID 139487679
1-[6-cyclopropyl-2-[(4-methylpyrazol-1-yl)methyl]imidazo[1,2-a]pyridin-8-yl]pyrrolidin-2-one
CID 139498993

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[[6-cyclopropyl-8-(4-ethoxycarbonylimidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
The IUPAC name of 5-tert-butyl-1-[[6-cyclopropyl-8-(4-ethoxycarbonylimidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid (CID 139487561) is 5-tert-butyl-1-[[6-cyclopropyl-8-(4-ethoxycarbonylimidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid.
What is the SMILES notation for 5-tert-butyl-1-[[6-cyclopropyl-8-(4-ethoxycarbonylimidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
The canonical SMILES for 5-tert-butyl-1-[[6-cyclopropyl-8-(4-ethoxycarbonylimidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid is CCOC(=O)c1cn(-c2cc(C3CC3)cn3cc(Cn4nnc(C(=O)O)c4C(C)(C)C)nc23)cn1.
What is the InChIKey of 5-tert-butyl-1-[[6-cyclopropyl-8-(4-ethoxycarbonylimidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
The InChIKey is ZAXHCHLVDIJADZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O4/c1-5-35-23(34)17-12-30(13-25-17)18-8-15(14-6-7-14)9-29-10-16(26-21(18)29)11-31-20(24(2,3)4)19(22(32)33)27-28-31/h8-10,12-14H,5-7,11H2,1-4H3,(H,32,33).
What are the key properties of 5-tert-butyl-1-[[6-cyclopropyl-8-(4-ethoxycarbonylimidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
5-tert-butyl-1-[[6-cyclopropyl-8-(4-ethoxycarbonylimidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid has a molecular weight of 477.53 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-[[6-cyclopropyl-8-(4-ethoxycarbonylimidazol-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 139487561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).