6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanone

C31H38N8O3S — CID 50943058

IUPAC6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanone
SMILESCS(=O)(=O)C1CCN(c2cccc3c2ccn3-c2ccnc(NC3CCC(C(=O)N4CCn5ccnc5C4)CC3)n2)CC1
InChIInChI=1S/C31H38N8O3S/c1-43(41,42)24-10-15-36(16-11-24)26-3-2-4-27-25(26)12-17-39(27)28-9-13-33-31(35-28)34-23-7-5-22(6-8-23)30(40)38-20-19-37-18-14-32-29(37)21-38/h2-4,9,12-14,17-18,22-24H,5-8,10-11,15-16,19-21H2,1H3,(H,33,34,35)
InChIKeyVINWUUHGRNDSGB-UHFFFAOYSA-N
MW602.77 g/mol
LogP3.64
Rot. Bonds6

About 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanone

6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanone (PubChem CID 50943058) has the molecular formula C31H38N8O3S and a molecular weight of 602.77 g/mol. Its IUPAC name is 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanone.

Molecular Properties

Compound Name6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanone
PubChem CID50943058
Molecular FormulaC31H38N8O3S
Molecular Weight602.77 g/mol
Exact Mass602.28
IUPAC Name6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanone
SMILESCS(=O)(=O)C1CCN(c2cccc3c2ccn3-c2ccnc(NC3CCC(C(=O)N4CCn5ccnc5C4)CC3)n2)CC1
InChIInChI=1S/C31H38N8O3S/c1-43(41,42)24-10-15-36(16-11-24)26-3-2-4-27-25(26)12-17-39(27)28-9-13-33-31(35-28)34-23-7-5-22(6-8-23)30(40)38-20-19-37-18-14-32-29(37)21-38/h2-4,9,12-14,17-18,22-24H,5-8,10-11,15-16,19-21H2,1H3,(H,33,34,35)
InChIKeyVINWUUHGRNDSGB-UHFFFAOYSA-N
XLogP3.64
TPSA118.25 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.77
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanone?
The IUPAC name of 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanone (CID 50943058) is 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanone.
What is the SMILES notation for 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanone?
The canonical SMILES for 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanone is CS(=O)(=O)C1CCN(c2cccc3c2ccn3-c2ccnc(NC3CCC(C(=O)N4CCn5ccnc5C4)CC3)n2)CC1.
What is the InChIKey of 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanone?
The InChIKey is VINWUUHGRNDSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38N8O3S/c1-43(41,42)24-10-15-36(16-11-24)26-3-2-4-27-25(26)12-17-39(27)28-9-13-33-31(35-28)34-23-7-5-22(6-8-23)30(40)38-20-19-37-18-14-32-29(37)21-38/h2-4,9,12-14,17-18,22-24H,5-8,10-11,15-16,19-21H2,1H3,(H,33,34,35).
What are the key properties of 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanone?
6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanone has a molecular weight of 602.77 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl-[4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanone is sourced from PubChem (CID 50943058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).