2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid

C21H25N3O3 — CID 25270079

IUPAC2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid
SMILESO=C(O)Cc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1
InChIInChI=1S/C21H25N3O3/c25-19(26)7-16-11-24-17(2-1-3-18(24)23-16)20(27)22-12-21-8-13-4-14(9-21)6-15(5-13)10-21/h1-3,11,13-15H,4-10,12H2,(H,22,27)(H,25,26)
InChIKeyWXJFDPQZVGCBAW-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.91
Rot. Bonds5

About 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid

2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid (PubChem CID 25270079) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid
PubChem CID25270079
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid
SMILESO=C(O)Cc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1
InChIInChI=1S/C21H25N3O3/c25-19(26)7-16-11-24-17(2-1-3-18(24)23-16)20(27)22-12-21-8-13-4-14(9-21)6-15(5-13)10-21/h1-3,11,13-15H,4-10,12H2,(H,22,27)(H,25,26)
InChIKeyWXJFDPQZVGCBAW-UHFFFAOYSA-N
XLogP2.91
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid?
The IUPAC name of 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid (CID 25270079) is 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid.
What is the SMILES notation for 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid?
The canonical SMILES for 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid is O=C(O)Cc1cn2c(C(=O)NCC34CC5CC(CC(C5)C3)C4)cccc2n1.
What is the InChIKey of 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid?
The InChIKey is WXJFDPQZVGCBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-19(26)7-16-11-24-17(2-1-3-18(24)23-16)20(27)22-12-21-8-13-4-14(9-21)6-15(5-13)10-21/h1-3,11,13-15H,4-10,12H2,(H,22,27)(H,25,26).
What are the key properties of 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid?
2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid has a molecular weight of 367.45 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1-adamantylmethylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]acetic acid is sourced from PubChem (CID 25270079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).