1-[5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2,4-dimethylphenyl]ethanone

C28H32FN5O2 — CID 134366006

IUPAC1-[5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2,4-dimethylphenyl]ethanone
SMILESCCOc1cc2ncc(-n3cc(-c4cc(C(C)=O)c(C)cc4C)cn3)n2cc1C1(F)CCN(C)CC1
InChIInChI=1S/C28H32FN5O2/c1-6-36-25-13-26-30-15-27(33(26)17-24(25)28(29)7-9-32(5)10-8-28)34-16-21(14-31-34)23-12-22(20(4)35)18(2)11-19(23)3/h11-17H,6-10H2,1-5H3
InChIKeyASNPUVUDZCIRNR-UHFFFAOYSA-N
MW489.60 g/mol
LogP5.30
Rot. Bonds6

About 1-[5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2,4-dimethylphenyl]ethanone

1-[5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2,4-dimethylphenyl]ethanone (PubChem CID 134366006) has the molecular formula C28H32FN5O2 and a molecular weight of 489.60 g/mol. Its IUPAC name is 1-[5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2,4-dimethylphenyl]ethanone.

Molecular Properties

Compound Name1-[5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2,4-dimethylphenyl]ethanone
PubChem CID134366006
Molecular FormulaC28H32FN5O2
Molecular Weight489.60 g/mol
Exact Mass489.25
IUPAC Name1-[5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2,4-dimethylphenyl]ethanone
SMILESCCOc1cc2ncc(-n3cc(-c4cc(C(C)=O)c(C)cc4C)cn3)n2cc1C1(F)CCN(C)CC1
InChIInChI=1S/C28H32FN5O2/c1-6-36-25-13-26-30-15-27(33(26)17-24(25)28(29)7-9-32(5)10-8-28)34-16-21(14-31-34)23-12-22(20(4)35)18(2)11-19(23)3/h11-17H,6-10H2,1-5H3
InChIKeyASNPUVUDZCIRNR-UHFFFAOYSA-N
XLogP5.30
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.60
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2,4-dimethylphenyl]ethanone?
The IUPAC name of 1-[5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2,4-dimethylphenyl]ethanone (CID 134366006) is 1-[5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2,4-dimethylphenyl]ethanone.
What is the SMILES notation for 1-[5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2,4-dimethylphenyl]ethanone?
The canonical SMILES for 1-[5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2,4-dimethylphenyl]ethanone is CCOc1cc2ncc(-n3cc(-c4cc(C(C)=O)c(C)cc4C)cn3)n2cc1C1(F)CCN(C)CC1.
What is the InChIKey of 1-[5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2,4-dimethylphenyl]ethanone?
The InChIKey is ASNPUVUDZCIRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN5O2/c1-6-36-25-13-26-30-15-27(33(26)17-24(25)28(29)7-9-32(5)10-8-28)34-16-21(14-31-34)23-12-22(20(4)35)18(2)11-19(23)3/h11-17H,6-10H2,1-5H3.
What are the key properties of 1-[5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2,4-dimethylphenyl]ethanone?
1-[5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2,4-dimethylphenyl]ethanone has a molecular weight of 489.60 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[1-[7-ethoxy-6-(4-fluoro-1-methylpiperidin-4-yl)imidazo[1,2-a]pyridin-3-yl]pyrazol-4-yl]-2,4-dimethylphenyl]ethanone is sourced from PubChem (CID 134366006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).