tetramethyl 2,3-bis(4-methoxy-N-methylanilino)-1-methyl-8a-phenylimidazo[1,2-a]pyridine-5,6,7,8-tetracarboxylate

C38H40N4O10 — CID 100987240

IUPACtetramethyl 2,3-bis(4-methoxy-N-methylanilino)-1-methyl-8a-phenylimidazo[1,2-a]pyridine-5,6,7,8-tetracarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N2C(N(C)c3ccc(OC)cc3)=C(N(C)c3ccc(OC)cc3)N(C)C2(c2ccccc2)C(C(=O)OC)=C1C(=O)OC
InChIInChI=1S/C38H40N4O10/c1-39(24-15-19-26(47-4)20-16-24)32-33(40(2)25-17-21-27(48-5)22-18-25)42-31(37(46)52-9)29(35(44)50-7)28(34(43)49-6)30(36(45)51-8)38(42,41(32)3)23-13-11-10-12-14-23/h10-22H,1-9H3
InChIKeyZDGDPNCSUVOXJF-UHFFFAOYSA-N
MW712.76 g/mol
LogP3.76
Rot. Bonds11

About tetramethyl 2,3-bis(4-methoxy-N-methylanilino)-1-methyl-8a-phenylimidazo[1,2-a]pyridine-5,6,7,8-tetracarboxylate

tetramethyl 2,3-bis(4-methoxy-N-methylanilino)-1-methyl-8a-phenylimidazo[1,2-a]pyridine-5,6,7,8-tetracarboxylate (PubChem CID 100987240) has the molecular formula C38H40N4O10 and a molecular weight of 712.76 g/mol. Its IUPAC name is tetramethyl 2,3-bis(4-methoxy-N-methylanilino)-1-methyl-8a-phenylimidazo[1,2-a]pyridine-5,6,7,8-tetracarboxylate.

Molecular Properties

Compound Nametetramethyl 2,3-bis(4-methoxy-N-methylanilino)-1-methyl-8a-phenylimidazo[1,2-a]pyridine-5,6,7,8-tetracarboxylate
PubChem CID100987240
Molecular FormulaC38H40N4O10
Molecular Weight712.76 g/mol
Exact Mass712.27
IUPAC Nametetramethyl 2,3-bis(4-methoxy-N-methylanilino)-1-methyl-8a-phenylimidazo[1,2-a]pyridine-5,6,7,8-tetracarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)N2C(N(C)c3ccc(OC)cc3)=C(N(C)c3ccc(OC)cc3)N(C)C2(c2ccccc2)C(C(=O)OC)=C1C(=O)OC
InChIInChI=1S/C38H40N4O10/c1-39(24-15-19-26(47-4)20-16-24)32-33(40(2)25-17-21-27(48-5)22-18-25)42-31(37(46)52-9)29(35(44)50-7)28(34(43)49-6)30(36(45)51-8)38(42,41(32)3)23-13-11-10-12-14-23/h10-22H,1-9H3
InChIKeyZDGDPNCSUVOXJF-UHFFFAOYSA-N
XLogP3.76
TPSA136.62 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.76
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tetramethyl 2,3-bis(4-methoxy-N-methylanilino)-1-methyl-8a-phenylimidazo[1,2-a]pyridine-5,6,7,8-tetracarboxylate?
The IUPAC name of tetramethyl 2,3-bis(4-methoxy-N-methylanilino)-1-methyl-8a-phenylimidazo[1,2-a]pyridine-5,6,7,8-tetracarboxylate (CID 100987240) is tetramethyl 2,3-bis(4-methoxy-N-methylanilino)-1-methyl-8a-phenylimidazo[1,2-a]pyridine-5,6,7,8-tetracarboxylate.
What is the SMILES notation for tetramethyl 2,3-bis(4-methoxy-N-methylanilino)-1-methyl-8a-phenylimidazo[1,2-a]pyridine-5,6,7,8-tetracarboxylate?
The canonical SMILES for tetramethyl 2,3-bis(4-methoxy-N-methylanilino)-1-methyl-8a-phenylimidazo[1,2-a]pyridine-5,6,7,8-tetracarboxylate is COC(=O)C1=C(C(=O)OC)N2C(N(C)c3ccc(OC)cc3)=C(N(C)c3ccc(OC)cc3)N(C)C2(c2ccccc2)C(C(=O)OC)=C1C(=O)OC.
What is the InChIKey of tetramethyl 2,3-bis(4-methoxy-N-methylanilino)-1-methyl-8a-phenylimidazo[1,2-a]pyridine-5,6,7,8-tetracarboxylate?
The InChIKey is ZDGDPNCSUVOXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40N4O10/c1-39(24-15-19-26(47-4)20-16-24)32-33(40(2)25-17-21-27(48-5)22-18-25)42-31(37(46)52-9)29(35(44)50-7)28(34(43)49-6)30(36(45)51-8)38(42,41(32)3)23-13-11-10-12-14-23/h10-22H,1-9H3.
What are the key properties of tetramethyl 2,3-bis(4-methoxy-N-methylanilino)-1-methyl-8a-phenylimidazo[1,2-a]pyridine-5,6,7,8-tetracarboxylate?
tetramethyl 2,3-bis(4-methoxy-N-methylanilino)-1-methyl-8a-phenylimidazo[1,2-a]pyridine-5,6,7,8-tetracarboxylate has a molecular weight of 712.76 g/mol, XLogP of 3.76, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethyl 2,3-bis(4-methoxy-N-methylanilino)-1-methyl-8a-phenylimidazo[1,2-a]pyridine-5,6,7,8-tetracarboxylate is sourced from PubChem (CID 100987240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).