1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid

C19H21N5O5 — CID 139487396

IUPAC1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(Cc2cn3cc(C4CC4)cc(C(O)C4(CO)COC4)c3n2)nn1
InChIInChI=1S/C19H21N5O5/c25-8-19(9-29-10-19)16(26)14-3-12(11-1-2-11)4-23-5-13(20-17(14)23)6-24-7-15(18(27)28)21-22-24/h3-5,7,11,16,25-26H,1-2,6,8-10H2,(H,27,28)
InChIKeyLHUGSFMAWYICKW-UHFFFAOYSA-N
MW399.41 g/mol
LogP0.59
Rot. Bonds7

About 1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid

1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid (PubChem CID 139487396) has the molecular formula C19H21N5O5 and a molecular weight of 399.41 g/mol. Its IUPAC name is 1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
PubChem CID139487396
Molecular FormulaC19H21N5O5
Molecular Weight399.41 g/mol
Exact Mass399.15
IUPAC Name1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
SMILESO=C(O)c1cn(Cc2cn3cc(C4CC4)cc(C(O)C4(CO)COC4)c3n2)nn1
InChIInChI=1S/C19H21N5O5/c25-8-19(9-29-10-19)16(26)14-3-12(11-1-2-11)4-23-5-13(20-17(14)23)6-24-7-15(18(27)28)21-22-24/h3-5,7,11,16,25-26H,1-2,6,8-10H2,(H,27,28)
InChIKeyLHUGSFMAWYICKW-UHFFFAOYSA-N
XLogP0.59
TPSA135.00 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

1-[(8-bromo-6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid
CID 139487588
1-[[6-cyclopropyl-8-(1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid
CID 139487497
1-[[6-cyclopropyl-8-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxamide
CID 175752949
tert-butyl 1-[[6-cyclopropyl-8-(1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylate
CID 139487797
benzyl 1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate
CID 153431050
2-[[4-[3-(4-carbamimidoyl-2,6-dimethylphenyl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 158175224
3-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-3-hydroxy-2,2-dimethylpropanoic acid
CID 139487275
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
3-[[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-hydroxymethyl]azetidine-1-carboxylic acid
CID 175507815
(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methanamine;N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxamide;1-[(6-cyclopropyl-8-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylic acid;hydrochloride
CID 161123677
2-[2-[[4-[(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxyacetic acid
CID 139487408
1-[(5-cyclopropyl-1-methylindol-2-yl)methyl]triazole-4-carboxylic acid
CID 139487885

Frequently Asked Questions

What is the IUPAC name of 1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid (CID 139487396) is 1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid is O=C(O)c1cn(Cc2cn3cc(C4CC4)cc(C(O)C4(CO)COC4)c3n2)nn1.
What is the InChIKey of 1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
The InChIKey is LHUGSFMAWYICKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O5/c25-8-19(9-29-10-19)16(26)14-3-12(11-1-2-11)4-23-5-13(20-17(14)23)6-24-7-15(18(27)28)21-22-24/h3-5,7,11,16,25-26H,1-2,6,8-10H2,(H,27,28).
What are the key properties of 1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid?
1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid has a molecular weight of 399.41 g/mol, XLogP of 0.59, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[6-cyclopropyl-8-[hydroxy-[3-(hydroxymethyl)oxetan-3-yl]methyl]imidazo[1,2-a]pyridin-2-yl]methyl]triazole-4-carboxylic acid is sourced from PubChem (CID 139487396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).