5-tert-butyl-N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide;molecular hydrogen;hydrofluoride

C23H32FN9O2 — CID 168885281

IUPAC5-tert-butyl-N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide;molecular hydrogen;hydrofluoride
SMILESCn1cc(-c2cn3nccc3c(N3CCC(CNC(=O)c4noc(C(C)(C)C)n4)CC3)n2)cn1.F.[H][H]
InChIInChI=1S/C23H29N9O2.FH.H2/c1-23(2,3)22-28-19(29-34-22)21(33)24-11-15-6-9-31(10-7-15)20-18-5-8-25-32(18)14-17(27-20)16-12-26-30(4)13-16;;/h5,8,12-15H,6-7,9-11H2,1-4H3,(H,24,33);2*1H
InChIKeyNWFQSCSQVUXOFY-UHFFFAOYSA-N
MW485.57 g/mol
LogP2.86
Rot. Bonds5

About 5-tert-butyl-N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide;molecular hydrogen;hydrofluoride

5-tert-butyl-N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide;molecular hydrogen;hydrofluoride (PubChem CID 168885281) has the molecular formula C23H32FN9O2 and a molecular weight of 485.57 g/mol. Its IUPAC name is 5-tert-butyl-N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide;molecular hydrogen;hydrofluoride.

Molecular Properties

Compound Name5-tert-butyl-N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide;molecular hydrogen;hydrofluoride
PubChem CID168885281
Molecular FormulaC23H32FN9O2
Molecular Weight485.57 g/mol
Exact Mass485.27
IUPAC Name5-tert-butyl-N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide;molecular hydrogen;hydrofluoride
SMILESCn1cc(-c2cn3nccc3c(N3CCC(CNC(=O)c4noc(C(C)(C)C)n4)CC3)n2)cn1.F.[H][H]
InChIInChI=1S/C23H29N9O2.FH.H2/c1-23(2,3)22-28-19(29-34-22)21(33)24-11-15-6-9-31(10-7-15)20-18-5-8-25-32(18)14-17(27-20)16-12-26-30(4)13-16;;/h5,8,12-15H,6-7,9-11H2,1-4H3,(H,24,33);2*1H
InChIKeyNWFQSCSQVUXOFY-UHFFFAOYSA-N
XLogP2.86
TPSA119.27 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.57
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 5-tert-butyl-N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide;molecular hydrogen;hydrofluoride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide;molecular hydrogen;hydrofluoride?
The IUPAC name of 5-tert-butyl-N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide;molecular hydrogen;hydrofluoride (CID 168885281) is 5-tert-butyl-N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide;molecular hydrogen;hydrofluoride.
What is the SMILES notation for 5-tert-butyl-N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide;molecular hydrogen;hydrofluoride?
The canonical SMILES for 5-tert-butyl-N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide;molecular hydrogen;hydrofluoride is Cn1cc(-c2cn3nccc3c(N3CCC(CNC(=O)c4noc(C(C)(C)C)n4)CC3)n2)cn1.F.[H][H].
What is the InChIKey of 5-tert-butyl-N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide;molecular hydrogen;hydrofluoride?
The InChIKey is NWFQSCSQVUXOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N9O2.FH.H2/c1-23(2,3)22-28-19(29-34-22)21(33)24-11-15-6-9-31(10-7-15)20-18-5-8-25-32(18)14-17(27-20)16-12-26-30(4)13-16;;/h5,8,12-15H,6-7,9-11H2,1-4H3,(H,24,33);2*1H.
What are the key properties of 5-tert-butyl-N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide;molecular hydrogen;hydrofluoride?
5-tert-butyl-N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide;molecular hydrogen;hydrofluoride has a molecular weight of 485.57 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[[1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methyl]-1,2,4-oxadiazole-3-carboxamide;molecular hydrogen;hydrofluoride is sourced from PubChem (CID 168885281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).