2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetic acid

C22H25N3O3 — CID 22591926

IUPAC2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetic acid
SMILESO=C(O)CNc1c(C2CCCCC2)nc2c(OCc3ccccc3)cccn12
InChIInChI=1S/C22H25N3O3/c26-19(27)14-23-22-20(17-10-5-2-6-11-17)24-21-18(12-7-13-25(21)22)28-15-16-8-3-1-4-9-16/h1,3-4,7-9,12-13,17,23H,2,5-6,10-11,14-15H2,(H,26,27)
InChIKeyDAEQDECTXRGHFD-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.46
Rot. Bonds7

About 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetic acid

2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetic acid (PubChem CID 22591926) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetic acid
PubChem CID22591926
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetic acid
SMILESO=C(O)CNc1c(C2CCCCC2)nc2c(OCc3ccccc3)cccn12
InChIInChI=1S/C22H25N3O3/c26-19(27)14-23-22-20(17-10-5-2-6-11-17)24-21-18(12-7-13-25(21)22)28-15-16-8-3-1-4-9-16/h1,3-4,7-9,12-13,17,23H,2,5-6,10-11,14-15H2,(H,26,27)
InChIKeyDAEQDECTXRGHFD-UHFFFAOYSA-N
XLogP4.46
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetic acid?
The IUPAC name of 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetic acid (CID 22591926) is 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetic acid?
The canonical SMILES for 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetic acid is O=C(O)CNc1c(C2CCCCC2)nc2c(OCc3ccccc3)cccn12.
What is the InChIKey of 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetic acid?
The InChIKey is DAEQDECTXRGHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c26-19(27)14-23-22-20(17-10-5-2-6-11-17)24-21-18(12-7-13-25(21)22)28-15-16-8-3-1-4-9-16/h1,3-4,7-9,12-13,17,23H,2,5-6,10-11,14-15H2,(H,26,27).
What are the key properties of 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetic acid?
2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetic acid has a molecular weight of 379.46 g/mol, XLogP of 4.46, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclohexyl-8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)amino]acetic acid is sourced from PubChem (CID 22591926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).