imidazo[1,2-a]pyridin-2-ylmethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate

C22H21N3O2 — CID 7173026

IUPACimidazo[1,2-a]pyridin-2-ylmethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate
SMILESCc1ccc(-n2c(C)cc(C(=O)OCc3cn4ccccc4n3)c2C)cc1
InChIInChI=1S/C22H21N3O2/c1-15-7-9-19(10-8-15)25-16(2)12-20(17(25)3)22(26)27-14-18-13-24-11-5-4-6-21(24)23-18/h4-13H,14H2,1-3H3
InChIKeyWYLRTSVEGJGCKA-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.41
Rot. Bonds4

About imidazo[1,2-a]pyridin-2-ylmethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate

imidazo[1,2-a]pyridin-2-ylmethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate (PubChem CID 7173026) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is imidazo[1,2-a]pyridin-2-ylmethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridin-2-ylmethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate
PubChem CID7173026
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Nameimidazo[1,2-a]pyridin-2-ylmethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate
SMILESCc1ccc(-n2c(C)cc(C(=O)OCc3cn4ccccc4n3)c2C)cc1
InChIInChI=1S/C22H21N3O2/c1-15-7-9-19(10-8-15)25-16(2)12-20(17(25)3)22(26)27-14-18-13-24-11-5-4-6-21(24)23-18/h4-13H,14H2,1-3H3
InChIKeyWYLRTSVEGJGCKA-UHFFFAOYSA-N
XLogP4.41
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate
CID 7175460
imidazo[1,2-a]pyridin-2-ylmethyl 2-methyl-1-phenylbenzimidazole-5-carboxylate
CID 7171273
imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-4-chlorobenzoate
CID 60656920
imidazo[1,2-a]pyridin-2-ylmethyl 2-amino-5-fluorobenzoate
CID 60656851
imidazo[1,2-a]pyridin-2-ylmethyl 4-aminobenzoate
CID 60655585
imidazo[1,2-a]pyridin-2-ylmethyl 2-(5-methyl-1,3,4-oxadiazol-2-yl)benzoate
CID 75500455
[2-(ethylamino)-2-oxoethyl] 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate
CID 2601093
2-(1,3-dioxoisoindol-2-yl)ethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate
CID 7175518
2-O-ethyl 4-O-(imidazo[1,2-a]pyridin-2-ylmethyl) 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7173028
imidazo[1,2-a]pyridin-2-ylmethyl 1-amino-9,10-dioxoanthracene-2-carboxylate
CID 55372410
imidazo[1,2-a]pyridin-2-ylmethyl quinoxaline-2-carboxylate
CID 71944439
(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 1-methylindole-3-carboxylate
CID 9380138

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate?
The IUPAC name of imidazo[1,2-a]pyridin-2-ylmethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate (CID 7173026) is imidazo[1,2-a]pyridin-2-ylmethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate.
What is the SMILES notation for imidazo[1,2-a]pyridin-2-ylmethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate?
The canonical SMILES for imidazo[1,2-a]pyridin-2-ylmethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate is Cc1ccc(-n2c(C)cc(C(=O)OCc3cn4ccccc4n3)c2C)cc1.
What is the InChIKey of imidazo[1,2-a]pyridin-2-ylmethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate?
The InChIKey is WYLRTSVEGJGCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-15-7-9-19(10-8-15)25-16(2)12-20(17(25)3)22(26)27-14-18-13-24-11-5-4-6-21(24)23-18/h4-13H,14H2,1-3H3.
What are the key properties of imidazo[1,2-a]pyridin-2-ylmethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate?
imidazo[1,2-a]pyridin-2-ylmethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate has a molecular weight of 359.43 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridin-2-ylmethyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate is sourced from PubChem (CID 7173026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).