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

C24H24N4O3 — CID 139487284

IUPACbenzyl 1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
SMILESO=C(OCc1ccccc1)c1cnn(Cc2cn3cc(C4CC4)cc(CCO)c3n2)c1
InChIInChI=1S/C24H24N4O3/c29-9-8-19-10-20(18-6-7-18)12-27-14-22(26-23(19)27)15-28-13-21(11-25-28)24(30)31-16-17-4-2-1-3-5-17/h1-5,10-14,18,29H,6-9,15-16H2
InChIKeyCZXQPDXSTSYLNG-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.35
Rot. Bonds8

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

benzyl 1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate (PubChem CID 139487284) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is benzyl 1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Namebenzyl 1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
PubChem CID139487284
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Namebenzyl 1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate
SMILESO=C(OCc1ccccc1)c1cnn(Cc2cn3cc(C4CC4)cc(CCO)c3n2)c1
InChIInChI=1S/C24H24N4O3/c29-9-8-19-10-20(18-6-7-18)12-27-14-22(26-23(19)27)15-28-13-21(11-25-28)24(30)31-16-17-4-2-1-3-5-17/h1-5,10-14,18,29H,6-9,15-16H2
InChIKeyCZXQPDXSTSYLNG-UHFFFAOYSA-N
XLogP3.35
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of benzyl 1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate?
The IUPAC name of benzyl 1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate (CID 139487284) is benzyl 1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate.
What is the SMILES notation for benzyl 1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate?
The canonical SMILES for benzyl 1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate is O=C(OCc1ccccc1)c1cnn(Cc2cn3cc(C4CC4)cc(CCO)c3n2)c1.
What is the InChIKey of benzyl 1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate?
The InChIKey is CZXQPDXSTSYLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c29-9-8-19-10-20(18-6-7-18)12-27-14-22(26-23(19)27)15-28-13-21(11-25-28)24(30)31-16-17-4-2-1-3-5-17/h1-5,10-14,18,29H,6-9,15-16H2.
What are the key properties of benzyl 1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate?
benzyl 1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate has a molecular weight of 416.48 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-[[6-cyclopropyl-8-(2-hydroxyethyl)imidazo[1,2-a]pyridin-2-yl]methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 139487284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).