benzyl 1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate

C25H22N6O3 — CID 139488046

IUPACbenzyl 1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
SMILESO=C(OCc1ccccc1)c1cnn(Cc2cn3cc(C4CC4)cc(Cc4nnco4)c3n2)c1
InChIInChI=1S/C25H22N6O3/c32-25(33-15-17-4-2-1-3-5-17)21-10-27-31(12-21)14-22-13-30-11-20(18-6-7-18)8-19(24(30)28-22)9-23-29-26-16-34-23/h1-5,8,10-13,16,18H,6-7,9,14-15H2
InChIKeySAKRNHRSVDYHEF-UHFFFAOYSA-N
MW454.49 g/mol
LogP3.79
Rot. Bonds8

About benzyl 1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate

benzyl 1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate (PubChem CID 139488046) has the molecular formula C25H22N6O3 and a molecular weight of 454.49 g/mol. Its IUPAC name is benzyl 1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl 1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
PubChem CID139488046
Molecular FormulaC25H22N6O3
Molecular Weight454.49 g/mol
Exact Mass454.18
IUPAC Namebenzyl 1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
SMILESO=C(OCc1ccccc1)c1cnn(Cc2cn3cc(C4CC4)cc(Cc4nnco4)c3n2)c1
InChIInChI=1S/C25H22N6O3/c32-25(33-15-17-4-2-1-3-5-17)21-10-27-31(12-21)14-22-13-30-11-20(18-6-7-18)8-19(24(30)28-22)9-23-29-26-16-34-23/h1-5,8,10-13,16,18H,6-7,9,14-15H2
InChIKeySAKRNHRSVDYHEF-UHFFFAOYSA-N
XLogP3.79
TPSA100.34 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.49
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze benzyl 1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate with MolForge

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Related Compounds

benzyl 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
CID 139487461
benzyl 1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate
CID 153431050
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
ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 139487437
ethane;ethyl 1-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
CID 156707965
benzyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 33494359
tert-butyl 2-[6-cyclopropyl-2-[[4-[hydroxy(methoxy)methyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]acetate
CID 155180133
lithium;benzyl 1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate;(7-chloro-8aH-imidazo[1,5-a]pyridin-4-ium-1-yl)methanamine;2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylic acid;1-[[6-cyclopropyl-8-(2-ethoxycarbonylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylic acid;ethyl 2-[2-[[4-[3-(7-chloroimidazo[1,5-a]pyridin-1-yl)propanoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]cyclopropane-1-carboxylate;dihydroxide;hydrochloride
CID 161236643
N-[(7-bromo-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl]-1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxamide
CID 155624266
ethyl 2-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate
CID 165131768
(7-acetamido-2-oxochromen-4-yl)methyl 1-benzylpyrazole-4-carboxylate
CID 16575866
ethyl 1-[(1-benzylpiperidin-4-yl)methyl]pyrazole-4-carboxylate
CID 66570485

Frequently Asked Questions

What is the IUPAC name of benzyl 1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate?
The IUPAC name of benzyl 1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate (CID 139488046) is benzyl 1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate.
What is the SMILES notation for benzyl 1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate?
The canonical SMILES for benzyl 1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate is O=C(OCc1ccccc1)c1cnn(Cc2cn3cc(C4CC4)cc(Cc4nnco4)c3n2)c1.
What is the InChIKey of benzyl 1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate?
The InChIKey is SAKRNHRSVDYHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O3/c32-25(33-15-17-4-2-1-3-5-17)21-10-27-31(12-21)14-22-13-30-11-20(18-6-7-18)8-19(24(30)28-22)9-23-29-26-16-34-23/h1-5,8,10-13,16,18H,6-7,9,14-15H2.
What are the key properties of benzyl 1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate?
benzyl 1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate has a molecular weight of 454.49 g/mol, XLogP of 3.79, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 139488046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).