ethyl 2-amino-3-[7-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate

C25H25N3O2 — CID 170885569

IUPACethyl 2-amino-3-[7-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate
SMILESCCOC(=O)C(N)Cc1c(-c2ccc(-c3ccccc3)cc2)nc2cc(C)ccn12
InChIInChI=1S/C25H25N3O2/c1-3-30-25(29)21(26)16-22-24(27-23-15-17(2)13-14-28(22)23)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-15,21H,3,16,26H2,1-2H3
InChIKeyQINWOHZYFZVQKY-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.41
Rot. Bonds6

About ethyl 2-amino-3-[7-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate

ethyl 2-amino-3-[7-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate (PubChem CID 170885569) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is ethyl 2-amino-3-[7-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-[7-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate
PubChem CID170885569
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Nameethyl 2-amino-3-[7-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate
SMILESCCOC(=O)C(N)Cc1c(-c2ccc(-c3ccccc3)cc2)nc2cc(C)ccn12
InChIInChI=1S/C25H25N3O2/c1-3-30-25(29)21(26)16-22-24(27-23-15-17(2)13-14-28(22)23)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-15,21H,3,16,26H2,1-2H3
InChIKeyQINWOHZYFZVQKY-UHFFFAOYSA-N
XLogP4.41
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-[7-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate?
The IUPAC name of ethyl 2-amino-3-[7-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate (CID 170885569) is ethyl 2-amino-3-[7-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate.
What is the SMILES notation for ethyl 2-amino-3-[7-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate?
The canonical SMILES for ethyl 2-amino-3-[7-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate is CCOC(=O)C(N)Cc1c(-c2ccc(-c3ccccc3)cc2)nc2cc(C)ccn12.
What is the InChIKey of ethyl 2-amino-3-[7-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate?
The InChIKey is QINWOHZYFZVQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-3-30-25(29)21(26)16-22-24(27-23-15-17(2)13-14-28(22)23)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-15,21H,3,16,26H2,1-2H3.
What are the key properties of ethyl 2-amino-3-[7-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate?
ethyl 2-amino-3-[7-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate has a molecular weight of 399.49 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-[7-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate is sourced from PubChem (CID 170885569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).