ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate

C23H29N3O3 — CID 25269403

IUPACethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate
SMILESCCOC(=O)Cc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1
InChIInChI=1S/C23H29N3O3/c1-2-29-21(27)9-18-13-26-19(4-3-5-20(26)25-18)22(28)24-14-23-10-15-6-16(11-23)8-17(7-15)12-23/h3-5,13,15-17H,2,6-12,14H2,1H3,(H,24,28)
InChIKeyKDVYIZPBDFTGNP-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.39
Rot. Bonds6

About ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate

ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate (PubChem CID 25269403) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate
PubChem CID25269403
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Nameethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate
SMILESCCOC(=O)Cc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1
InChIInChI=1S/C23H29N3O3/c1-2-29-21(27)9-18-13-26-19(4-3-5-20(26)25-18)22(28)24-14-23-10-15-6-16(11-23)8-17(7-15)12-23/h3-5,13,15-17H,2,6-12,14H2,1H3,(H,24,28)
InChIKeyKDVYIZPBDFTGNP-UHFFFAOYSA-N
XLogP3.39
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate?
The IUPAC name of ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate (CID 25269403) is ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate?
The canonical SMILES for ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate is CCOC(=O)Cc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1.
What is the InChIKey of ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate?
The InChIKey is KDVYIZPBDFTGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-2-29-21(27)9-18-13-26-19(4-3-5-20(26)25-18)22(28)24-14-23-10-15-6-16(11-23)8-17(7-15)12-23/h3-5,13,15-17H,2,6-12,14H2,1H3,(H,24,28).
What are the key properties of ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate?
ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate has a molecular weight of 395.50 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetate is sourced from PubChem (CID 25269403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).