ethyl 1-[4-[[(7-amino-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-4-carboxylate

C25H31N5O3 — CID 123431310

IUPACethyl 1-[4-[[(7-amino-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc(CNC(=O)c3c(CC)nc4cc(N)ccn34)cc2)CC1
InChIInChI=1S/C25H31N5O3/c1-3-21-23(30-14-11-19(26)15-22(30)28-21)24(31)27-16-17-5-7-20(8-6-17)29-12-9-18(10-13-29)25(32)33-4-2/h5-8,11,14-15,18H,3-4,9-10,12-13,16,26H2,1-2H3,(H,27,31)
InChIKeyWETXJMRCMCAIBP-UHFFFAOYSA-N
MW449.56 g/mol
LogP3.19
Rot. Bonds7

About ethyl 1-[4-[[(7-amino-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-4-carboxylate

ethyl 1-[4-[[(7-amino-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-4-carboxylate (PubChem CID 123431310) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is ethyl 1-[4-[[(7-amino-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-[[(7-amino-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-4-carboxylate
PubChem CID123431310
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Nameethyl 1-[4-[[(7-amino-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc(CNC(=O)c3c(CC)nc4cc(N)ccn34)cc2)CC1
InChIInChI=1S/C25H31N5O3/c1-3-21-23(30-14-11-19(26)15-22(30)28-21)24(31)27-16-17-5-7-20(8-6-17)29-12-9-18(10-13-29)25(32)33-4-2/h5-8,11,14-15,18H,3-4,9-10,12-13,16,26H2,1-2H3,(H,27,31)
InChIKeyWETXJMRCMCAIBP-UHFFFAOYSA-N
XLogP3.19
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze ethyl 1-[4-[[(7-amino-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-4-carboxylate with MolForge

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Related Compounds

7-chloro-N-[[4-(4-chloropiperidin-1-yl)phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 90683102
N-[[4-[4-(4-chlorophenyl)piperidin-1-yl]phenyl]methyl]-2-ethyl-7-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 90479982
7-chloro-2-ethyl-N-[[4-[4-(4-fluorophenoxy)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53466679
7-chloro-2-ethyl-N-[[4-[4-(propan-2-yloxymethyl)piperidin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71009986
2-ethyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121442149
2-ethyl-7-(4-phenylpiperazin-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 53466676
ethyl 1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidine-4-carboxylate
CID 121443369
6-chloro-2-ethyl-N-[[4-(4-pyridin-4-ylpiperidin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 135194026
6-chloro-N-[[4-[(3R)-3-(4-chlorophenoxy)pyrrolidin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 121442375
8-chloro-2-ethyl-N-[[4-[4-(4-methylphenyl)piperazin-1-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121442236
6-chloro-N-[[4-[4-(cyclohexylmethyl)piperazin-1-yl]phenyl]methyl]-2-ethylimidazo[1,2-a]pyridine-3-carboxamide
CID 155533904
2-ethyl-N-[[4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]methyl]-6-methoxyimidazo[1,2-a]pyridine-3-carboxamide
CID 121442279

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-[[(7-amino-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-[[(7-amino-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-4-carboxylate (CID 123431310) is ethyl 1-[4-[[(7-amino-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-[[(7-amino-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-[[(7-amino-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ccc(CNC(=O)c3c(CC)nc4cc(N)ccn34)cc2)CC1.
What is the InChIKey of ethyl 1-[4-[[(7-amino-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-4-carboxylate?
The InChIKey is WETXJMRCMCAIBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-3-21-23(30-14-11-19(26)15-22(30)28-21)24(31)27-16-17-5-7-20(8-6-17)29-12-9-18(10-13-29)25(32)33-4-2/h5-8,11,14-15,18H,3-4,9-10,12-13,16,26H2,1-2H3,(H,27,31).
What are the key properties of ethyl 1-[4-[[(7-amino-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-4-carboxylate?
ethyl 1-[4-[[(7-amino-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-4-carboxylate has a molecular weight of 449.56 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-[[(7-amino-2-ethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]phenyl]piperidine-4-carboxylate is sourced from PubChem (CID 123431310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).