2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide

C24H28N4O4 — CID 98066069

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide
SMILESCc1cc2nccc(C3CCC(CNC(=O)COc4ccc5c(c4)OCCO5)CC3)n2n1
InChIInChI=1S/C24H28N4O4/c1-16-12-23-25-9-8-20(28(23)27-16)18-4-2-17(3-5-18)14-26-24(29)15-32-19-6-7-21-22(13-19)31-11-10-30-21/h6-9,12-13,17-18H,2-5,10-11,14-15H2,1H3,(H,26,29)
InChIKeyFGCNCQOSGMNFSD-UHFFFAOYSA-N
MW436.51 g/mol
LogP3.28
Rot. Bonds6

About 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide

2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide (PubChem CID 98066069) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide
PubChem CID98066069
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide
SMILESCc1cc2nccc(C3CCC(CNC(=O)COc4ccc5c(c4)OCCO5)CC3)n2n1
InChIInChI=1S/C24H28N4O4/c1-16-12-23-25-9-8-20(28(23)27-16)18-4-2-17(3-5-18)14-26-24(29)15-32-19-6-7-21-22(13-19)31-11-10-30-21/h6-9,12-13,17-18H,2-5,10-11,14-15H2,1H3,(H,26,29)
InChIKeyFGCNCQOSGMNFSD-UHFFFAOYSA-N
XLogP3.28
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide (CID 98066069) is 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide is Cc1cc2nccc(C3CCC(CNC(=O)COc4ccc5c(c4)OCCO5)CC3)n2n1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide?
The InChIKey is FGCNCQOSGMNFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-16-12-23-25-9-8-20(28(23)27-16)18-4-2-17(3-5-18)14-26-24(29)15-32-19-6-7-21-22(13-19)31-11-10-30-21/h6-9,12-13,17-18H,2-5,10-11,14-15H2,1H3,(H,26,29).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide has a molecular weight of 436.51 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)-N-[[4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)cyclohexyl]methyl]acetamide is sourced from PubChem (CID 98066069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).