ethyl 1-[[6-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate

C23H25N5O4 — CID 110311604

IUPACethyl 1-[[6-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2c(-c3ccc4[nH]c(=O)oc4c3)nc3ccc(N)cn23)CC1
InChIInChI=1S/C23H25N5O4/c1-2-31-22(29)14-7-9-27(10-8-14)13-18-21(26-20-6-4-16(24)12-28(18)20)15-3-5-17-19(11-15)32-23(30)25-17/h3-6,11-12,14H,2,7-10,13,24H2,1H3,(H,25,30)
InChIKeyLUBUESLDQVSQMZ-UHFFFAOYSA-N
MW435.48 g/mol
LogP2.79
Rot. Bonds5

About ethyl 1-[[6-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate

ethyl 1-[[6-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate (PubChem CID 110311604) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is ethyl 1-[[6-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[6-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate
PubChem CID110311604
Molecular FormulaC23H25N5O4
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Nameethyl 1-[[6-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2c(-c3ccc4[nH]c(=O)oc4c3)nc3ccc(N)cn23)CC1
InChIInChI=1S/C23H25N5O4/c1-2-31-22(29)14-7-9-27(10-8-14)13-18-21(26-20-6-4-16(24)12-28(18)20)15-3-5-17-19(11-15)32-23(30)25-17/h3-6,11-12,14H,2,7-10,13,24H2,1H3,(H,25,30)
InChIKeyLUBUESLDQVSQMZ-UHFFFAOYSA-N
XLogP2.79
TPSA118.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 1-[[6-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate with MolForge

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Related Compounds

2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-amine
CID 165344231
ethyl 1-(1-benzofuran-2-ylmethyl)piperidine-4-carboxylate
CID 3266236
2-(4-tert-butylphenyl)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-amine
CID 110311811
2-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-6-amine
CID 82058433
1-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2757434
ethyl 1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate
CID 84556691
1-[[6-methyl-2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2759949
6-[5-(aminomethyl)-3-ethyl-2-methylimidazo[2,1-b][1,3]thiazol-6-yl]-3H-1,3-benzoxazol-2-one
CID 39197288
ethyl 1-[(3-aminophenyl)methyl]piperidine-4-carboxylate
CID 2800723
ethyl 2-(6-amino-2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
CID 10541904
ethyl 1-[(4-amino-6-methylpyrimidin-2-yl)methyl]piperidine-4-carboxylate
CID 80657136
ethyl 1-[(5-nitrofuran-2-yl)methyl]piperidine-4-carboxylate
CID 791307

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[6-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[6-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate (CID 110311604) is ethyl 1-[[6-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[6-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[6-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2c(-c3ccc4[nH]c(=O)oc4c3)nc3ccc(N)cn23)CC1.
What is the InChIKey of ethyl 1-[[6-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate?
The InChIKey is LUBUESLDQVSQMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c1-2-31-22(29)14-7-9-27(10-8-14)13-18-21(26-20-6-4-16(24)12-28(18)20)15-3-5-17-19(11-15)32-23(30)25-17/h3-6,11-12,14H,2,7-10,13,24H2,1H3,(H,25,30).
What are the key properties of ethyl 1-[[6-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate?
ethyl 1-[[6-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate has a molecular weight of 435.48 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[6-amino-2-(2-oxo-3H-1,3-benzoxazol-6-yl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 110311604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).