1-[3-[1-(4-acetyl-2-fluoro-6-methoxyphenyl)-8-aminoimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone

C26H33FN6O3 — CID 145112556

IUPAC1-[3-[1-(4-acetyl-2-fluoro-6-methoxyphenyl)-8-aminoimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
SMILESCOc1cc(C(C)=O)cc(F)c1-c1nc(C2CCCN(C(=O)CN(C)C(C)C)C2)n2ccnc(N)c12
InChIInChI=1S/C26H33FN6O3/c1-15(2)31(4)14-21(35)32-9-6-7-17(13-32)26-30-23(24-25(28)29-8-10-33(24)26)22-19(27)11-18(16(3)34)12-20(22)36-5/h8,10-12,15,17H,6-7,9,13-14H2,1-5H3,(H2,28,29)
InChIKeyIEUSMXQUZMYDHK-UHFFFAOYSA-N
MW496.59 g/mol
LogP3.38
Rot. Bonds7

About 1-[3-[1-(4-acetyl-2-fluoro-6-methoxyphenyl)-8-aminoimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone

1-[3-[1-(4-acetyl-2-fluoro-6-methoxyphenyl)-8-aminoimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone (PubChem CID 145112556) has the molecular formula C26H33FN6O3 and a molecular weight of 496.59 g/mol. Its IUPAC name is 1-[3-[1-(4-acetyl-2-fluoro-6-methoxyphenyl)-8-aminoimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-[3-[1-(4-acetyl-2-fluoro-6-methoxyphenyl)-8-aminoimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
PubChem CID145112556
Molecular FormulaC26H33FN6O3
Molecular Weight496.59 g/mol
Exact Mass496.26
IUPAC Name1-[3-[1-(4-acetyl-2-fluoro-6-methoxyphenyl)-8-aminoimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
SMILESCOc1cc(C(C)=O)cc(F)c1-c1nc(C2CCCN(C(=O)CN(C)C(C)C)C2)n2ccnc(N)c12
InChIInChI=1S/C26H33FN6O3/c1-15(2)31(4)14-21(35)32-9-6-7-17(13-32)26-30-23(24-25(28)29-8-10-33(24)26)22-19(27)11-18(16(3)34)12-20(22)36-5/h8,10-12,15,17H,6-7,9,13-14H2,1-5H3,(H2,28,29)
InChIKeyIEUSMXQUZMYDHK-UHFFFAOYSA-N
XLogP3.38
TPSA106.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.59
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[3-[1-(4-acetyl-2-fluoro-6-methoxyphenyl)-8-aminoimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-(4-acetyl-2-fluoro-6-methoxyphenyl)-8-aminoimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone?
The IUPAC name of 1-[3-[1-(4-acetyl-2-fluoro-6-methoxyphenyl)-8-aminoimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone (CID 145112556) is 1-[3-[1-(4-acetyl-2-fluoro-6-methoxyphenyl)-8-aminoimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone.
What is the SMILES notation for 1-[3-[1-(4-acetyl-2-fluoro-6-methoxyphenyl)-8-aminoimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone?
The canonical SMILES for 1-[3-[1-(4-acetyl-2-fluoro-6-methoxyphenyl)-8-aminoimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone is COc1cc(C(C)=O)cc(F)c1-c1nc(C2CCCN(C(=O)CN(C)C(C)C)C2)n2ccnc(N)c12.
What is the InChIKey of 1-[3-[1-(4-acetyl-2-fluoro-6-methoxyphenyl)-8-aminoimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone?
The InChIKey is IEUSMXQUZMYDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN6O3/c1-15(2)31(4)14-21(35)32-9-6-7-17(13-32)26-30-23(24-25(28)29-8-10-33(24)26)22-19(27)11-18(16(3)34)12-20(22)36-5/h8,10-12,15,17H,6-7,9,13-14H2,1-5H3,(H2,28,29).
What are the key properties of 1-[3-[1-(4-acetyl-2-fluoro-6-methoxyphenyl)-8-aminoimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone?
1-[3-[1-(4-acetyl-2-fluoro-6-methoxyphenyl)-8-aminoimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone has a molecular weight of 496.59 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-(4-acetyl-2-fluoro-6-methoxyphenyl)-8-aminoimidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-[methyl(propan-2-yl)amino]ethanone is sourced from PubChem (CID 145112556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).