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

C26H30N4O2 — CID 155518029

IUPAC1-[1-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone
SMILESCCCOc1ccn2c(C(C)=O)cc(-c3nc4ccccn4c3NC3CCCCC3)c2c1
InChIInChI=1S/C26H30N4O2/c1-3-15-32-20-12-14-29-22(18(2)31)17-21(23(29)16-20)25-26(27-19-9-5-4-6-10-19)30-13-8-7-11-24(30)28-25/h7-8,11-14,16-17,19,27H,3-6,9-10,15H2,1-2H3
InChIKeyYBULWYPAJUPVAR-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.99
Rot. Bonds7

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

1-[1-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone (PubChem CID 155518029) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-[1-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone
PubChem CID155518029
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name1-[1-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone
SMILESCCCOc1ccn2c(C(C)=O)cc(-c3nc4ccccn4c3NC3CCCCC3)c2c1
InChIInChI=1S/C26H30N4O2/c1-3-15-32-20-12-14-29-22(18(2)31)17-21(23(29)16-20)25-26(27-19-9-5-4-6-10-19)30-13-8-7-11-24(30)28-25/h7-8,11-14,16-17,19,27H,3-6,9-10,15H2,1-2H3
InChIKeyYBULWYPAJUPVAR-UHFFFAOYSA-N
XLogP5.99
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
The IUPAC name of 1-[1-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone (CID 155518029) is 1-[1-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone.
What is the SMILES notation for 1-[1-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
The canonical SMILES for 1-[1-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone is CCCOc1ccn2c(C(C)=O)cc(-c3nc4ccccn4c3NC3CCCCC3)c2c1.
What is the InChIKey of 1-[1-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
The InChIKey is YBULWYPAJUPVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-3-15-32-20-12-14-29-22(18(2)31)17-21(23(29)16-20)25-26(27-19-9-5-4-6-10-19)30-13-8-7-11-24(30)28-25/h7-8,11-14,16-17,19,27H,3-6,9-10,15H2,1-2H3.
What are the key properties of 1-[1-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone?
1-[1-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone has a molecular weight of 430.55 g/mol, XLogP of 5.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]-7-propoxyindolizin-3-yl]ethanone is sourced from PubChem (CID 155518029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).