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

C23H20N4O3 — CID 139487293

IUPACbenzyl 1-[(6-cyclopropyl-8-formylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
SMILESO=Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)OCc4ccccc4)cn3)nc12
InChIInChI=1S/C23H20N4O3/c28-14-19-8-18(17-6-7-17)10-26-12-21(25-22(19)26)13-27-11-20(9-24-27)23(29)30-15-16-4-2-1-3-5-16/h1-5,8-12,14,17H,6-7,13,15H2
InChIKeyRSPJLUOEYSDDOL-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.63
Rot. Bonds7

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

benzyl 1-[(6-cyclopropyl-8-formylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate (PubChem CID 139487293) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is benzyl 1-[(6-cyclopropyl-8-formylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl 1-[(6-cyclopropyl-8-formylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
PubChem CID139487293
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Namebenzyl 1-[(6-cyclopropyl-8-formylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate
SMILESO=Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)OCc4ccccc4)cn3)nc12
InChIInChI=1S/C23H20N4O3/c28-14-19-8-18(17-6-7-17)10-26-12-21(25-22(19)26)13-27-11-20(9-24-27)23(29)30-15-16-4-2-1-3-5-16/h1-5,8-12,14,17H,6-7,13,15H2
InChIKeyRSPJLUOEYSDDOL-UHFFFAOYSA-N
XLogP3.63
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-(4-methylphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 9551527
Benzyl 4-amino-6-methyl-1-pentylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 10428093
Methyl 5-(3-cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)pyridine-3-carboxylate
CID 89471867
Ethyl 2-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 754757
Ethyl 5-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]pyrazolo[5,1-f][1,6]naphthyridine-2-carboxylate
CID 118708352
Methyl 3-(8-(6-(2-methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoate
CID 71525521
Methyl 4-(8-(6-(2-methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)benzoate
CID 71525614
4-[4-(1H-pyrazol-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carboxylic acid ethyl ester
CID 91928593
US10138241, Example 2
CID 134328540
Ethyl 2-[[4-[(7-chloroimidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]pyrazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridine-8-carboxylate
CID 139487407
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-(hydroxymethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
CID 139487517

Frequently Asked Questions

What is the IUPAC name of benzyl 1-[(6-cyclopropyl-8-formylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate?
The IUPAC name of benzyl 1-[(6-cyclopropyl-8-formylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate (CID 139487293) is benzyl 1-[(6-cyclopropyl-8-formylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate.
What is the SMILES notation for benzyl 1-[(6-cyclopropyl-8-formylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate?
The canonical SMILES for benzyl 1-[(6-cyclopropyl-8-formylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate is O=Cc1cc(C2CC2)cn2cc(Cn3cc(C(=O)OCc4ccccc4)cn3)nc12.
What is the InChIKey of benzyl 1-[(6-cyclopropyl-8-formylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate?
The InChIKey is RSPJLUOEYSDDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c28-14-19-8-18(17-6-7-17)10-26-12-21(25-22(19)26)13-27-11-20(9-24-27)23(29)30-15-16-4-2-1-3-5-16/h1-5,8-12,14,17H,6-7,13,15H2.
What are the key properties of benzyl 1-[(6-cyclopropyl-8-formylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate?
benzyl 1-[(6-cyclopropyl-8-formylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate has a molecular weight of 400.44 g/mol, XLogP of 3.63, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-[(6-cyclopropyl-8-formylimidazo[1,2-a]pyridin-2-yl)methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 139487293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).