6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone

C47H60N16O3S — CID 159390613

IUPAC6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C4CCN(C(C)=O)CC4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C4CCN(S(C)(=O)=O)CC4)c3)cn3nccc23)cn1
InChIInChI=1S/C24H30N8O.C23H30N8O2S/c1-4-20(5-2)30-15-19(13-27-30)24-23-6-9-25-32(23)16-22(28-24)18-12-26-31(14-18)21-7-10-29(11-8-21)17(3)33;1-4-19(5-2)29-15-18(13-26-29)23-22-6-9-24-31(22)16-21(27-23)17-12-25-30(14-17)20-7-10-28(11-8-20)34(3,32)33/h6,9,12-16,20-21H,4-5,7-8,10-11H2,1-3H3;6,9,12-16,19-20H,4-5,7-8,10-11H2,1-3H3
InChIKeyLMBGXQAPDDCSDJ-UHFFFAOYSA-N
MW929.17 g/mol
LogP7.41
Rot. Bonds13

About 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone

6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 159390613) has the molecular formula C47H60N16O3S and a molecular weight of 929.17 g/mol. Its IUPAC name is 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
PubChem CID159390613
Molecular FormulaC47H60N16O3S
Molecular Weight929.17 g/mol
Exact Mass928.48
IUPAC Name6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone
SMILESCCC(CC)n1cc(-c2nc(-c3cnn(C4CCN(C(C)=O)CC4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C4CCN(S(C)(=O)=O)CC4)c3)cn3nccc23)cn1
InChIInChI=1S/C24H30N8O.C23H30N8O2S/c1-4-20(5-2)30-15-19(13-27-30)24-23-6-9-25-32(23)16-22(28-24)18-12-26-31(14-18)21-7-10-29(11-8-21)17(3)33;1-4-19(5-2)29-15-18(13-26-29)23-22-6-9-24-31(22)16-21(27-23)17-12-25-30(14-17)20-7-10-28(11-8-20)34(3,32)33/h6,9,12-16,20-21H,4-5,7-8,10-11H2,1-3H3;6,9,12-16,19-20H,4-5,7-8,10-11H2,1-3H3
InChIKeyLMBGXQAPDDCSDJ-UHFFFAOYSA-N
XLogP7.41
TPSA189.35 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds13
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500929.17
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone with MolForge

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Launch Full Analysis

Related Compounds

(S)-3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)-1-(1-(methanesulfonyl)pyrrolidin-3-yl)-1H-imidazol-[4,5-c][1,5]naphthyridin-2(3H)-one
CID 118101711
3-methyl-8-(6-(1-methyl-1H-pyrazol-4-yl)pyridin-3-yl)-1-(1-(methanesulfonyl)piperidin-3-yl)-1H-imidazo[4,5-c][1,5]naphthyridin-2(3H)-one
CID 118101810
US10189845, Example 36
CID 121378463
US10189845, Example 9
CID 121390958
US10189845, Example 31
CID 121390962
US10189845, Example 32
CID 121391010
US10189845, Example 181
CID 121391029
4-[1-[3-Ethyl-1-(trifluoromethylsulfonyl)azetidin-3-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;4-[1-(1-methylcyclopentyl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;3-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]pentan-1-ol;2-[4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]pyrazol-1-yl]propan-1-ol
CID 161504118
3-methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-[(3R)-1-methylsulfonylpiperidin-3-yl]imidazo[4,5-c][1,5]naphthyridin-2-one
CID 118101720
3-methyl-1-[(3S)-1-methylsulfonylpyrrolidin-3-yl]-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one
CID 118101823
3-Methyl-1-(1-methylsulfonylpyrrolidin-3-yl)-8-[6-(1-methyltriazol-4-yl)-3-pyridinyl]imidazo[4,5-c][1,5]naphthyridin-2-one
CID 122552524
3-Methyl-8-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-1-(1-methylsulfonylpyrrolidin-3-yl)imidazo[4,5-c][1,5]naphthyridin-2-one
CID 122552534

Frequently Asked Questions

What is the IUPAC name of 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone (CID 159390613) is 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is CCC(CC)n1cc(-c2nc(-c3cnn(C4CCN(C(C)=O)CC4)c3)cn3nccc23)cn1.CCC(CC)n1cc(-c2nc(-c3cnn(C4CCN(S(C)(=O)=O)CC4)c3)cn3nccc23)cn1.
What is the InChIKey of 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is LMBGXQAPDDCSDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O.C23H30N8O2S/c1-4-20(5-2)30-15-19(13-27-30)24-23-6-9-25-32(23)16-22(28-24)18-12-26-31(14-18)21-7-10-29(11-8-21)17(3)33;1-4-19(5-2)29-15-18(13-26-29)23-22-6-9-24-31(22)16-21(27-23)17-12-25-30(14-17)20-7-10-28(11-8-20)34(3,32)33/h6,9,12-16,20-21H,4-5,7-8,10-11H2,1-3H3;6,9,12-16,19-20H,4-5,7-8,10-11H2,1-3H3.
What are the key properties of 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone?
6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 929.17 g/mol, XLogP of 7.41, 13 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(1-methylsulfonylpiperidin-4-yl)pyrazol-4-yl]-4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine;1-[4-[4-[4-(1-pentan-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-6-yl]pyrazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 159390613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).