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

C26H26N4O4 — CID 139487461

IUPACbenzyl 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)OCc4ccccc4)cn3)nc12
InChIInChI=1S/C26H26N4O4/c1-2-33-24(31)11-20-10-21(19-8-9-19)13-29-15-23(28-25(20)29)16-30-14-22(12-27-30)26(32)34-17-18-6-4-3-5-7-18/h3-7,10,12-15,19H,2,8-9,11,16-17H2,1H3
InChIKeyQTZVJJMSTUAAFE-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.92
Rot. Bonds9

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

benzyl 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate (PubChem CID 139487461) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is benzyl 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
PubChem CID139487461
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Namebenzyl 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)OCc4ccccc4)cn3)nc12
InChIInChI=1S/C26H26N4O4/c1-2-33-24(31)11-20-10-21(19-8-9-19)13-29-15-23(28-25(20)29)16-30-14-22(12-27-30)26(32)34-17-18-6-4-3-5-7-18/h3-7,10,12-15,19H,2,8-9,11,16-17H2,1H3
InChIKeyQTZVJJMSTUAAFE-UHFFFAOYSA-N
XLogP3.92
TPSA87.72 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

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Related Compounds

benzyl 1-[[6-cyclopropyl-8-(1,3,4-oxadiazol-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
CID 139488046
ethyl 2-[2-(aminomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]acetate
CID 165131768
benzyl 1-[(6-cyclopropyl-8-propylimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate
CID 153431050
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
tert-butyl 2-[6-cyclopropyl-2-[[4-[hydroxy(methoxy)methyl]pyrazol-1-yl]methyl]imidazo[1,2-a]pyridin-8-yl]acetate
CID 155180133
ethyl 1-[(1-benzylpiperidin-4-yl)methyl]pyrazole-4-carboxylate
CID 66570485
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-(2-methylcyclopropyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
CID 139488143
benzyl 1-[(2-chlorophenyl)methyl]pyrazole-4-carboxylate
CID 33494359
ethyl 2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate
CID 139487362
ethyl 1-[[6-(3-azabicyclo[3.1.0]hexan-3-yl)-2-cyclopropyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 156826518

Frequently Asked Questions

What is the IUPAC name of benzyl 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate?
The IUPAC name of benzyl 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate (CID 139487461) is benzyl 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate.
What is the SMILES notation for benzyl 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate?
The canonical SMILES for benzyl 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate is CCOC(=O)Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)OCc4ccccc4)cn3)nc12.
What is the InChIKey of benzyl 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate?
The InChIKey is QTZVJJMSTUAAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-2-33-24(31)11-20-10-21(19-8-9-19)13-29-15-23(28-25(20)29)16-30-14-22(12-27-30)26(32)34-17-18-6-4-3-5-7-18/h3-7,10,12-15,19H,2,8-9,11,16-17H2,1H3.
What are the key properties of benzyl 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate?
benzyl 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate has a molecular weight of 458.52 g/mol, XLogP of 3.92, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-[[6-cyclopropyl-8-(2-ethoxy-2-oxoethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 139487461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).