1-[1-[3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone

C26H31N5O3 — CID 155563500

IUPAC1-[1-[3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone
SMILESCCCOc1ccn2c(C(C)=O)cc(-c3nc4ccccn4c3NCCN3CCOCC3)c2c1
InChIInChI=1S/C26H31N5O3/c1-3-14-34-20-7-10-30-22(19(2)32)18-21(23(30)17-20)25-26(31-9-5-4-6-24(31)28-25)27-8-11-29-12-15-33-16-13-29/h4-7,9-10,17-18,27H,3,8,11-16H2,1-2H3
InChIKeyRHLSHGMQDKINGT-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.99
Rot. Bonds9

About 1-[1-[3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone

1-[1-[3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone (PubChem CID 155563500) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 1-[1-[3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone
PubChem CID155563500
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name1-[1-[3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone
SMILESCCCOc1ccn2c(C(C)=O)cc(-c3nc4ccccn4c3NCCN3CCOCC3)c2c1
InChIInChI=1S/C26H31N5O3/c1-3-14-34-20-7-10-30-22(19(2)32)18-21(23(30)17-20)25-26(31-9-5-4-6-24(31)28-25)27-8-11-29-12-15-33-16-13-29/h4-7,9-10,17-18,27H,3,8,11-16H2,1-2H3
InChIKeyRHLSHGMQDKINGT-UHFFFAOYSA-N
XLogP3.99
TPSA72.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
The IUPAC name of 1-[1-[3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone (CID 155563500) is 1-[1-[3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone.
What is the SMILES notation for 1-[1-[3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
The canonical SMILES for 1-[1-[3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone is CCCOc1ccn2c(C(C)=O)cc(-c3nc4ccccn4c3NCCN3CCOCC3)c2c1.
What is the InChIKey of 1-[1-[3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
The InChIKey is RHLSHGMQDKINGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-3-14-34-20-7-10-30-22(19(2)32)18-21(23(30)17-20)25-26(31-9-5-4-6-24(31)28-25)27-8-11-29-12-15-33-16-13-29/h4-7,9-10,17-18,27H,3,8,11-16H2,1-2H3.
What are the key properties of 1-[1-[3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
1-[1-[3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone has a molecular weight of 461.57 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2-morpholin-4-ylethylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone is sourced from PubChem (CID 155563500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).