methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate

C29H28N4O5 — CID 155524746

IUPACmethyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCCCOc1ccn2c(C(C)=O)cc(-c3nc4ccc(C(=O)OC)cn4c3Nc3ccc(OC)cc3)c2c1
InChIInChI=1S/C29H28N4O5/c1-5-14-38-22-12-13-32-24(18(2)34)16-23(25(32)15-22)27-28(30-20-7-9-21(36-3)10-8-20)33-17-19(29(35)37-4)6-11-26(33)31-27/h6-13,15-17,30H,5,14H2,1-4H3
InChIKeyPACKOZCINZSUIY-UHFFFAOYSA-N
MW512.57 g/mol
LogP5.78
Rot. Bonds9

About methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate

methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 155524746) has the molecular formula C29H28N4O5 and a molecular weight of 512.57 g/mol. Its IUPAC name is methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID155524746
Molecular FormulaC29H28N4O5
Molecular Weight512.57 g/mol
Exact Mass512.21
IUPAC Namemethyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCCCOc1ccn2c(C(C)=O)cc(-c3nc4ccc(C(=O)OC)cn4c3Nc3ccc(OC)cc3)c2c1
InChIInChI=1S/C29H28N4O5/c1-5-14-38-22-12-13-32-24(18(2)34)16-23(25(32)15-22)27-28(30-20-7-9-21(36-3)10-8-20)33-17-19(29(35)37-4)6-11-26(33)31-27/h6-13,15-17,30H,5,14H2,1-4H3
InChIKeyPACKOZCINZSUIY-UHFFFAOYSA-N
XLogP5.78
TPSA95.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.57
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate with MolForge

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Related Compounds

methyl 3-(4-methoxyanilino)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridine-6-carboxylate
CID 155552323
methyl 4-[[6-ethynyl-2-(4-ethynylphenyl)imidazo[1,2-a]pyridin-3-yl]amino]benzoate
CID 164601178
methyl 3-acetyl-2-methylimidazo[1,2-a]pyridine-6-carboxylate
CID 59176908
methyl 2-[(4-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 117256154
methyl 4-(3-anilinoimidazo[1,2-a]pyridin-2-yl)benzoate
CID 164601102
methyl 4-[3-(4-ethoxycarbonylanilino)imidazo[1,2-a]pyrazin-2-yl]benzoate
CID 53207832
1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]ethanone
CID 165143384
methyl 4-[3-(4-propoxyphenyl)prop-2-enoylamino]benzoate
CID 3535563
6-bromo-2-(4-methoxyphenyl)-N-(4-methylphenyl)imidazo[1,2-a]pyridin-3-amine
CID 7338761
methyl 3-acetyl-4-propoxybenzoate
CID 18404776
dimethyl 5-(4-methoxyanilino)benzene-1,3-dicarboxylate
CID 155291103
N,2-bis(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 58564445

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate (CID 155524746) is methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate is CCCOc1ccn2c(C(C)=O)cc(-c3nc4ccc(C(=O)OC)cn4c3Nc3ccc(OC)cc3)c2c1.
What is the InChIKey of methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is PACKOZCINZSUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O5/c1-5-14-38-22-12-13-32-24(18(2)34)16-23(25(32)15-22)27-28(30-20-7-9-21(36-3)10-8-20)33-17-19(29(35)37-4)6-11-26(33)31-27/h6-13,15-17,30H,5,14H2,1-4H3.
What are the key properties of methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 512.57 g/mol, XLogP of 5.78, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(4-methoxyanilino)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 155524746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).