1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylbut-1-enyl]imino-5-piperidin-4-yl-1-pyridinyl]ethanone

C25H30FN5O — CID 168888356

IUPAC1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylbut-1-enyl]imino-5-piperidin-4-yl-1-pyridinyl]ethanone
SMILESCC/C(C)=C(/N=c1\ccc(C2CCNCC2)cn1C(C)=O)c1cc(F)c2nc(C)cn2c1
InChIInChI=1S/C25H30FN5O/c1-5-16(2)24(21-12-22(26)25-28-17(3)13-30(25)14-21)29-23-7-6-20(15-31(23)18(4)32)19-8-10-27-11-9-19/h6-7,12-15,19,27H,5,8-11H2,1-4H3/b24-16+,29-23+
InChIKeyYRROSVZEFYRERL-IHDZYRCLSA-N
MW435.55 g/mol
LogP4.45
Rot. Bonds4

About 1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylbut-1-enyl]imino-5-piperidin-4-yl-1-pyridinyl]ethanone

1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylbut-1-enyl]imino-5-piperidin-4-yl-1-pyridinyl]ethanone (PubChem CID 168888356) has the molecular formula C25H30FN5O and a molecular weight of 435.55 g/mol. Its IUPAC name is 1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylbut-1-enyl]imino-5-piperidin-4-yl-1-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylbut-1-enyl]imino-5-piperidin-4-yl-1-pyridinyl]ethanone
PubChem CID168888356
Molecular FormulaC25H30FN5O
Molecular Weight435.55 g/mol
Exact Mass435.24
IUPAC Name1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylbut-1-enyl]imino-5-piperidin-4-yl-1-pyridinyl]ethanone
SMILESCC/C(C)=C(/N=c1\ccc(C2CCNCC2)cn1C(C)=O)c1cc(F)c2nc(C)cn2c1
InChIInChI=1S/C25H30FN5O/c1-5-16(2)24(21-12-22(26)25-28-17(3)13-30(25)14-21)29-23-7-6-20(15-31(23)18(4)32)19-8-10-27-11-9-19/h6-7,12-15,19,27H,5,8-11H2,1-4H3/b24-16+,29-23+
InChIKeyYRROSVZEFYRERL-IHDZYRCLSA-N
XLogP4.45
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylbut-1-enyl]imino-5-piperidin-4-yl-1-pyridinyl]ethanone with MolForge

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Related Compounds

1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)but-1-enyl]imino-5-piperazin-1-yl-1-pyridinyl]ethanone
CID 168888256
3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperidin-4-yl-1,2,4-benzotriazine
CID 146585455
8-fluoro-2-methyl-N-(4-morpholin-2-ylphenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 167847716
2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-pyrrolidin-3-ylpyrido[1,2-a][1,3,5]triazin-4-one
CID 168888228
3-chloro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-piperidin-4-ylthiophene-2-carboxamide
CID 156845290
8-fluoro-2-methyl-N-(6-piperidin-4-yl-1H-indazol-3-yl)imidazo[1,2-a]pyridin-6-amine
CID 176566276
tert-butyl N-[2-[[1-acetyl-6-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)but-1-enyl]imino-3-pyridinyl]-ethylamino]ethyl]-N-methylcarbamate
CID 168888242
2-methyl-6-piperidin-4-ylimidazo[1,2-a]pyridine
CID 59627485
methyl 8-fluoro-2-methylimidazo[1,2-a]pyridine-6-carboxylate
CID 154869268
ethane;8-fluoro-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-6-piperidin-4-ylisoquinolin-1-amine
CID 176567438
8-ethyl-6-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylimidazo[1,2-b]pyridazine
CID 170593680
N-[4-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2,6-dimethylphenyl]-1-piperidin-4-ylethanimine
CID 153383588

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylbut-1-enyl]imino-5-piperidin-4-yl-1-pyridinyl]ethanone?
The IUPAC name of 1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylbut-1-enyl]imino-5-piperidin-4-yl-1-pyridinyl]ethanone (CID 168888356) is 1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylbut-1-enyl]imino-5-piperidin-4-yl-1-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylbut-1-enyl]imino-5-piperidin-4-yl-1-pyridinyl]ethanone?
The canonical SMILES for 1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylbut-1-enyl]imino-5-piperidin-4-yl-1-pyridinyl]ethanone is CC/C(C)=C(/N=c1\ccc(C2CCNCC2)cn1C(C)=O)c1cc(F)c2nc(C)cn2c1.
What is the InChIKey of 1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylbut-1-enyl]imino-5-piperidin-4-yl-1-pyridinyl]ethanone?
The InChIKey is YRROSVZEFYRERL-IHDZYRCLSA-N. The full InChI is InChI=1S/C25H30FN5O/c1-5-16(2)24(21-12-22(26)25-28-17(3)13-30(25)14-21)29-23-7-6-20(15-31(23)18(4)32)19-8-10-27-11-9-19/h6-7,12-15,19,27H,5,8-11H2,1-4H3/b24-16+,29-23+.
What are the key properties of 1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylbut-1-enyl]imino-5-piperidin-4-yl-1-pyridinyl]ethanone?
1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylbut-1-enyl]imino-5-piperidin-4-yl-1-pyridinyl]ethanone has a molecular weight of 435.55 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(E)-1-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylbut-1-enyl]imino-5-piperidin-4-yl-1-pyridinyl]ethanone is sourced from PubChem (CID 168888356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).