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

C28H33N5O5 — CID 155512071

IUPACmethyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCCCOc1ccn2c(C(C)=O)cc(-c3nc4ccc(C(=O)OC)cn4c3NCCN3CCOCC3)c2c1
InChIInChI=1S/C28H33N5O5/c1-4-13-38-21-7-9-32-23(19(2)34)17-22(24(32)16-21)26-27(29-8-10-31-11-14-37-15-12-31)33-18-20(28(35)36-3)5-6-25(33)30-26/h5-7,9,16-18,29H,4,8,10-15H2,1-3H3
InChIKeyHNWYFKXIEKVTCZ-UHFFFAOYSA-N
MW519.60 g/mol
LogP3.78
Rot. Bonds10

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

methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate (PubChem CID 155512071) has the molecular formula C28H33N5O5 and a molecular weight of 519.60 g/mol. Its IUPAC name is methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate
PubChem CID155512071
Molecular FormulaC28H33N5O5
Molecular Weight519.60 g/mol
Exact Mass519.25
IUPAC Namemethyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate
SMILESCCCOc1ccn2c(C(C)=O)cc(-c3nc4ccc(C(=O)OC)cn4c3NCCN3CCOCC3)c2c1
InChIInChI=1S/C28H33N5O5/c1-4-13-38-21-7-9-32-23(19(2)34)17-22(24(32)16-21)26-27(29-8-10-31-11-14-37-15-12-31)33-18-20(28(35)36-3)5-6-25(33)30-26/h5-7,9,16-18,29H,4,8,10-15H2,1-3H3
InChIKeyHNWYFKXIEKVTCZ-UHFFFAOYSA-N
XLogP3.78
TPSA98.81 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.60
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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

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Related Compounds

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Roscovitine derivative 1
CID 73353575
3-(5-ethylfuran-2-yl)-2-(5-pyridin-2-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141492943
(3S)-3-(5-ethylfuran-2-yl)-2-(5-pyridin-2-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141492999
(3R)-3-(5-ethylfuran-2-yl)-2-(5-pyridin-2-ylpyrimidin-2-yl)-3,4-dihydro-1H-pyrrolo[3,4-b]quinolin-9-one
CID 141493000
2-(furan-2-yl)-8-methyl-N-(2-methylphenyl)imidazo(1,2-a)pyridin-3-amine
CID 4179181
2-(furan-2-yl)-N-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 7066853
2-(5-methylfuran-2-yl)-N-phenylimidazo[1,2-a]pyrazin-3-amine
CID 5308934
2-(5-methylfuran-2-yl)-N-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 9550690
6-Furan-2-yl-9-(3-phenyl-propyl)-9H-purin-2-ylamine
CID 9858219
2-amino-6-(furan-2-yl)-N-(2-phenylethyl)purine-9-carboxamide
CID 10132473

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate (CID 155512071) is methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate is CCCOc1ccn2c(C(C)=O)cc(-c3nc4ccc(C(=O)OC)cn4c3NCCN3CCOCC3)c2c1.
What is the InChIKey of methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate?
The InChIKey is HNWYFKXIEKVTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O5/c1-4-13-38-21-7-9-32-23(19(2)34)17-22(24(32)16-21)26-27(29-8-10-31-11-14-37-15-12-31)33-18-20(28(35)36-3)5-6-25(33)30-26/h5-7,9,16-18,29H,4,8,10-15H2,1-3H3.
What are the key properties of methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate?
methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate has a molecular weight of 519.60 g/mol, XLogP of 3.78, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-acetyl-7-propoxyindolizin-1-yl)-3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridine-6-carboxylate is sourced from PubChem (CID 155512071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).