1-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone

C24H24FN7O2 — CID 56673688

IUPAC1-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
SMILESCOc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(F)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C24H24FN7O2/c1-16(33)30-9-11-31(12-10-30)17-6-7-19(21(13-17)34-2)28-24-27-14-18(25)23(29-24)20-15-26-22-5-3-4-8-32(20)22/h3-8,13-15H,9-12H2,1-2H3,(H,27,28,29)
InChIKeyYBJHTHAFJHFCAF-UHFFFAOYSA-N
MW461.50 g/mol
LogP3.35
Rot. Bonds5

About 1-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone

1-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone (PubChem CID 56673688) has the molecular formula C24H24FN7O2 and a molecular weight of 461.50 g/mol. Its IUPAC name is 1-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
PubChem CID56673688
Molecular FormulaC24H24FN7O2
Molecular Weight461.50 g/mol
Exact Mass461.20
IUPAC Name1-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone
SMILESCOc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(F)c(-c2cnc3ccccn23)n1
InChIInChI=1S/C24H24FN7O2/c1-16(33)30-9-11-31(12-10-30)17-6-7-19(21(13-17)34-2)28-24-27-14-18(25)23(29-24)20-15-26-22-5-3-4-8-32(20)22/h3-8,13-15H,9-12H2,1-2H3,(H,27,28,29)
InChIKeyYBJHTHAFJHFCAF-UHFFFAOYSA-N
XLogP3.35
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone (CID 56673688) is 1-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone is COc1cc(N2CCN(C(C)=O)CC2)ccc1Nc1ncc(F)c(-c2cnc3ccccn23)n1.
What is the InChIKey of 1-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
The InChIKey is YBJHTHAFJHFCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O2/c1-16(33)30-9-11-31(12-10-30)17-6-7-19(21(13-17)34-2)28-24-27-14-18(25)23(29-24)20-15-26-22-5-3-4-8-32(20)22/h3-8,13-15H,9-12H2,1-2H3,(H,27,28,29).
What are the key properties of 1-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone?
1-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone has a molecular weight of 461.50 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[(5-fluoro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methoxyphenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 56673688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).