1-[5-[3-[3-(butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone

C24H25N3OS — CID 24892698

IUPAC1-[5-[3-[3-(butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone
SMILESCCCCNc1c(-c2cccc(-c3cc(C(C)=O)cs3)c2)nc2cc(C)ccn12
InChIInChI=1S/C24H25N3OS/c1-4-5-10-25-24-23(26-22-12-16(2)9-11-27(22)24)19-8-6-7-18(13-19)21-14-20(15-29-21)17(3)28/h6-9,11-15,25H,4-5,10H2,1-3H3
InChIKeyAMWVHMFYUHSNOK-UHFFFAOYSA-N
MW403.55 g/mol
LogP6.45
Rot. Bonds7

About 1-[5-[3-[3-(butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone

1-[5-[3-[3-(butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone (PubChem CID 24892698) has the molecular formula C24H25N3OS and a molecular weight of 403.55 g/mol. Its IUPAC name is 1-[5-[3-[3-(butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[3-[3-(butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone
PubChem CID24892698
Molecular FormulaC24H25N3OS
Molecular Weight403.55 g/mol
Exact Mass403.17
IUPAC Name1-[5-[3-[3-(butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone
SMILESCCCCNc1c(-c2cccc(-c3cc(C(C)=O)cs3)c2)nc2cc(C)ccn12
InChIInChI=1S/C24H25N3OS/c1-4-5-10-25-24-23(26-22-12-16(2)9-11-27(22)24)19-8-6-7-18(13-19)21-14-20(15-29-21)17(3)28/h6-9,11-15,25H,4-5,10H2,1-3H3
InChIKeyAMWVHMFYUHSNOK-UHFFFAOYSA-N
XLogP6.45
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 56.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[3-(butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone?
The IUPAC name of 1-[5-[3-[3-(butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone (CID 24892698) is 1-[5-[3-[3-(butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone.
What is the SMILES notation for 1-[5-[3-[3-(butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone?
The canonical SMILES for 1-[5-[3-[3-(butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone is CCCCNc1c(-c2cccc(-c3cc(C(C)=O)cs3)c2)nc2cc(C)ccn12.
What is the InChIKey of 1-[5-[3-[3-(butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone?
The InChIKey is AMWVHMFYUHSNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3OS/c1-4-5-10-25-24-23(26-22-12-16(2)9-11-27(22)24)19-8-6-7-18(13-19)21-14-20(15-29-21)17(3)28/h6-9,11-15,25H,4-5,10H2,1-3H3.
What are the key properties of 1-[5-[3-[3-(butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone?
1-[5-[3-[3-(butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone has a molecular weight of 403.55 g/mol, XLogP of 6.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-[3-(butylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]thiophen-3-yl]ethanone is sourced from PubChem (CID 24892698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).