ethyl 6-[[(Z)-2-ethoxycarbonyl-3-[(2-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)amino]-3-oxoprop-1-enyl]amino]imidazo[1,2-a]pyridine-2-carboxylate

C26H26N6O7 — CID 10929529

IUPACethyl 6-[[(Z)-2-ethoxycarbonyl-3-[(2-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)amino]-3-oxoprop-1-enyl]amino]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)/C(=C\Nc1ccc2nc(C(=O)OCC)cn2c1)C(=O)Nc1ccc2nc(C(=O)OCC)cn2c1
InChIInChI=1S/C26H26N6O7/c1-4-37-24(34)18(11-27-16-7-9-21-29-19(14-31(21)12-16)25(35)38-5-2)23(33)28-17-8-10-22-30-20(15-32(22)13-17)26(36)39-6-3/h7-15,27H,4-6H2,1-3H3,(H,28,33)/b18-11-
InChIKeySOKYILWEXQIDSV-WQRHYEAKSA-N
MW534.53 g/mol
LogP2.83
Rot. Bonds10

About ethyl 6-[[(Z)-2-ethoxycarbonyl-3-[(2-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)amino]-3-oxoprop-1-enyl]amino]imidazo[1,2-a]pyridine-2-carboxylate

ethyl 6-[[(Z)-2-ethoxycarbonyl-3-[(2-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)amino]-3-oxoprop-1-enyl]amino]imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 10929529) has the molecular formula C26H26N6O7 and a molecular weight of 534.53 g/mol. Its IUPAC name is ethyl 6-[[(Z)-2-ethoxycarbonyl-3-[(2-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)amino]-3-oxoprop-1-enyl]amino]imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[(Z)-2-ethoxycarbonyl-3-[(2-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)amino]-3-oxoprop-1-enyl]amino]imidazo[1,2-a]pyridine-2-carboxylate
PubChem CID10929529
Molecular FormulaC26H26N6O7
Molecular Weight534.53 g/mol
Exact Mass534.19
IUPAC Nameethyl 6-[[(Z)-2-ethoxycarbonyl-3-[(2-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)amino]-3-oxoprop-1-enyl]amino]imidazo[1,2-a]pyridine-2-carboxylate
SMILESCCOC(=O)/C(=C\Nc1ccc2nc(C(=O)OCC)cn2c1)C(=O)Nc1ccc2nc(C(=O)OCC)cn2c1
InChIInChI=1S/C26H26N6O7/c1-4-37-24(34)18(11-27-16-7-9-21-29-19(14-31(21)12-16)25(35)38-5-2)23(33)28-17-8-10-22-30-20(15-32(22)13-17)26(36)39-6-3/h7-15,27H,4-6H2,1-3H3,(H,28,33)/b18-11-
InChIKeySOKYILWEXQIDSV-WQRHYEAKSA-N
XLogP2.83
TPSA154.63 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.53
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze ethyl 6-[[(Z)-2-ethoxycarbonyl-3-[(2-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)amino]-3-oxoprop-1-enyl]amino]imidazo[1,2-a]pyridine-2-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[(Z)-2-ethoxycarbonyl-3-[(2-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)amino]-3-oxoprop-1-enyl]amino]imidazo[1,2-a]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-[[(Z)-2-ethoxycarbonyl-3-[(2-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)amino]-3-oxoprop-1-enyl]amino]imidazo[1,2-a]pyridine-2-carboxylate (CID 10929529) is ethyl 6-[[(Z)-2-ethoxycarbonyl-3-[(2-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)amino]-3-oxoprop-1-enyl]amino]imidazo[1,2-a]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-[[(Z)-2-ethoxycarbonyl-3-[(2-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)amino]-3-oxoprop-1-enyl]amino]imidazo[1,2-a]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-[[(Z)-2-ethoxycarbonyl-3-[(2-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)amino]-3-oxoprop-1-enyl]amino]imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)/C(=C\Nc1ccc2nc(C(=O)OCC)cn2c1)C(=O)Nc1ccc2nc(C(=O)OCC)cn2c1.
What is the InChIKey of ethyl 6-[[(Z)-2-ethoxycarbonyl-3-[(2-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)amino]-3-oxoprop-1-enyl]amino]imidazo[1,2-a]pyridine-2-carboxylate?
The InChIKey is SOKYILWEXQIDSV-WQRHYEAKSA-N. The full InChI is InChI=1S/C26H26N6O7/c1-4-37-24(34)18(11-27-16-7-9-21-29-19(14-31(21)12-16)25(35)38-5-2)23(33)28-17-8-10-22-30-20(15-32(22)13-17)26(36)39-6-3/h7-15,27H,4-6H2,1-3H3,(H,28,33)/b18-11-.
What are the key properties of ethyl 6-[[(Z)-2-ethoxycarbonyl-3-[(2-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)amino]-3-oxoprop-1-enyl]amino]imidazo[1,2-a]pyridine-2-carboxylate?
ethyl 6-[[(Z)-2-ethoxycarbonyl-3-[(2-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)amino]-3-oxoprop-1-enyl]amino]imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 534.53 g/mol, XLogP of 2.83, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[(Z)-2-ethoxycarbonyl-3-[(2-ethoxycarbonylimidazo[1,2-a]pyridin-6-yl)amino]-3-oxoprop-1-enyl]amino]imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 10929529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).