1-[5-[3-[6-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone

C25H24ClN3OS — CID 24891813

IUPAC1-[5-[3-[6-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone
SMILESCC(=O)c1csc(-c2cccc(-c3nc4ccc(Cl)cn4c3NC3CCCCC3)c2)c1
InChIInChI=1S/C25H24ClN3OS/c1-16(30)19-13-22(31-15-19)17-6-5-7-18(12-17)24-25(27-21-8-3-2-4-9-21)29-14-20(26)10-11-23(29)28-24/h5-7,10-15,21,27H,2-4,8-9H2,1H3
InChIKeyOJWRNSNHKJXRNP-UHFFFAOYSA-N
MW450.01 g/mol
LogP7.33
Rot. Bonds5

About 1-[5-[3-[6-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone

1-[5-[3-[6-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone (PubChem CID 24891813) has the molecular formula C25H24ClN3OS and a molecular weight of 450.01 g/mol. Its IUPAC name is 1-[5-[3-[6-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[3-[6-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone
PubChem CID24891813
Molecular FormulaC25H24ClN3OS
Molecular Weight450.01 g/mol
Exact Mass449.13
IUPAC Name1-[5-[3-[6-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone
SMILESCC(=O)c1csc(-c2cccc(-c3nc4ccc(Cl)cn4c3NC3CCCCC3)c2)c1
InChIInChI=1S/C25H24ClN3OS/c1-16(30)19-13-22(31-15-19)17-6-5-7-18(12-17)24-25(27-21-8-3-2-4-9-21)29-14-20(26)10-11-23(29)28-24/h5-7,10-15,21,27H,2-4,8-9H2,1H3
InChIKeyOJWRNSNHKJXRNP-UHFFFAOYSA-N
XLogP7.33
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.01
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[6-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone?
The IUPAC name of 1-[5-[3-[6-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone (CID 24891813) is 1-[5-[3-[6-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone.
What is the SMILES notation for 1-[5-[3-[6-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone?
The canonical SMILES for 1-[5-[3-[6-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone is CC(=O)c1csc(-c2cccc(-c3nc4ccc(Cl)cn4c3NC3CCCCC3)c2)c1.
What is the InChIKey of 1-[5-[3-[6-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone?
The InChIKey is OJWRNSNHKJXRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3OS/c1-16(30)19-13-22(31-15-19)17-6-5-7-18(12-17)24-25(27-21-8-3-2-4-9-21)29-14-20(26)10-11-23(29)28-24/h5-7,10-15,21,27H,2-4,8-9H2,1H3.
What are the key properties of 1-[5-[3-[6-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone?
1-[5-[3-[6-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone has a molecular weight of 450.01 g/mol, XLogP of 7.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-[6-chloro-3-(cyclohexylamino)imidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone is sourced from PubChem (CID 24891813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).