1-(3-piperidin-4-ylphenyl)-2-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]ethanone

C28H30N6O — CID 160925513

IUPAC1-(3-piperidin-4-ylphenyl)-2-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]ethanone
SMILESCC(C)Nc1cncc(-c2ccc3nnc(CC(=O)c4cccc(C5CCNCC5)c4)cc3c2)n1
InChIInChI=1S/C28H30N6O/c1-18(2)31-28-17-30-16-26(32-28)21-6-7-25-23(13-21)14-24(33-34-25)15-27(35)22-5-3-4-20(12-22)19-8-10-29-11-9-19/h3-7,12-14,16-19,29H,8-11,15H2,1-2H3,(H,31,32)
InChIKeySSOWMYMCKJMCAX-UHFFFAOYSA-N
MW466.59 g/mol
LogP4.80
Rot. Bonds7

About 1-(3-piperidin-4-ylphenyl)-2-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]ethanone

1-(3-piperidin-4-ylphenyl)-2-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]ethanone (PubChem CID 160925513) has the molecular formula C28H30N6O and a molecular weight of 466.59 g/mol. Its IUPAC name is 1-(3-piperidin-4-ylphenyl)-2-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]ethanone.

Molecular Properties

Compound Name1-(3-piperidin-4-ylphenyl)-2-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]ethanone
PubChem CID160925513
Molecular FormulaC28H30N6O
Molecular Weight466.59 g/mol
Exact Mass466.25
IUPAC Name1-(3-piperidin-4-ylphenyl)-2-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]ethanone
SMILESCC(C)Nc1cncc(-c2ccc3nnc(CC(=O)c4cccc(C5CCNCC5)c4)cc3c2)n1
InChIInChI=1S/C28H30N6O/c1-18(2)31-28-17-30-16-26(32-28)21-6-7-25-23(13-21)14-24(33-34-25)15-27(35)22-5-3-4-20(12-22)19-8-10-29-11-9-19/h3-7,12-14,16-19,29H,8-11,15H2,1-2H3,(H,31,32)
InChIKeySSOWMYMCKJMCAX-UHFFFAOYSA-N
XLogP4.80
TPSA92.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.59
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-fluorophenyl)-2-[6-[6-[[(3S,4S)-3-fluoropiperidin-4-yl]amino]pyrazin-2-yl]cinnolin-3-yl]ethanone
CID 157424456
1-piperidin-4-yl-N-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]triazole-4-carboxamide
CID 138590163
N-[1-[3-(1-methylpiperidin-4-yl)phenyl]ethenyl]-6-[6-(propan-2-ylamino)pyrazin-2-yl]isoquinolin-3-amine
CID 142575593
2-[6-[6-(tert-butylamino)pyrazin-2-yl]cinnolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 159029466
2-[6-[6-(tert-butylamino)pyrazin-2-yl]cinnolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone
CID 160846566
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(6-pyrrolidin-1-ylpyrazin-2-yl)cinnolin-3-yl]ethanone
CID 159180378
2-[6-(3-propan-2-ylimidazol-4-yl)cinnolin-3-yl]-1-(1-propan-2-ylpyrazol-4-yl)ethanone
CID 160923056
2-[6-(5-methyl-1,3,4-thiadiazol-2-yl)cinnolin-3-yl]-1-(2-piperidin-4-yl-1,3-oxazol-4-yl)ethanone
CID 147457902
6-(3-cyclobutylphenyl)-N-propylpyrazin-2-amine
CID 114606962
2-[3-[6-(tert-butylamino)pyrazin-2-yl]-1,7-naphthyridin-6-yl]-1-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 161228089
2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-1-[1-(1-propan-2-ylpiperidin-4-yl)triazol-4-yl]ethanone
CID 147858441
1-(3-cyclobutylphenyl)-2-propan-2-yloxyethanone
CID 105135206

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-4-ylphenyl)-2-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]ethanone?
The IUPAC name of 1-(3-piperidin-4-ylphenyl)-2-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]ethanone (CID 160925513) is 1-(3-piperidin-4-ylphenyl)-2-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]ethanone.
What is the SMILES notation for 1-(3-piperidin-4-ylphenyl)-2-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]ethanone?
The canonical SMILES for 1-(3-piperidin-4-ylphenyl)-2-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]ethanone is CC(C)Nc1cncc(-c2ccc3nnc(CC(=O)c4cccc(C5CCNCC5)c4)cc3c2)n1.
What is the InChIKey of 1-(3-piperidin-4-ylphenyl)-2-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]ethanone?
The InChIKey is SSOWMYMCKJMCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O/c1-18(2)31-28-17-30-16-26(32-28)21-6-7-25-23(13-21)14-24(33-34-25)15-27(35)22-5-3-4-20(12-22)19-8-10-29-11-9-19/h3-7,12-14,16-19,29H,8-11,15H2,1-2H3,(H,31,32).
What are the key properties of 1-(3-piperidin-4-ylphenyl)-2-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]ethanone?
1-(3-piperidin-4-ylphenyl)-2-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]ethanone has a molecular weight of 466.59 g/mol, XLogP of 4.80, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-4-ylphenyl)-2-[6-[6-(propan-2-ylamino)pyrazin-2-yl]cinnolin-3-yl]ethanone is sourced from PubChem (CID 160925513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).