tert-butyl 4-[4-[1-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate

C25H34N6O5 — CID 163302104

IUPACtert-butyl 4-[4-[1-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate
SMILESCC(C)(C)OC(=O)CNC1CC(C)(Oc2nc(-c3cnn(C(=O)OC(C)(C)C)c3)cn3nccc23)C1
InChIInChI=1S/C25H34N6O5/c1-23(2,3)34-20(32)13-26-17-10-25(7,11-17)35-21-19-8-9-27-30(19)15-18(29-21)16-12-28-31(14-16)22(33)36-24(4,5)6/h8-9,12,14-15,17,26H,10-11,13H2,1-7H3
InChIKeyLTNACUZBRCMOSU-UHFFFAOYSA-N
MW498.58 g/mol
LogP3.61
Rot. Bonds6

About tert-butyl 4-[4-[1-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate

tert-butyl 4-[4-[1-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate (PubChem CID 163302104) has the molecular formula C25H34N6O5 and a molecular weight of 498.58 g/mol. Its IUPAC name is tert-butyl 4-[4-[1-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[1-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate
PubChem CID163302104
Molecular FormulaC25H34N6O5
Molecular Weight498.58 g/mol
Exact Mass498.26
IUPAC Nametert-butyl 4-[4-[1-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate
SMILESCC(C)(C)OC(=O)CNC1CC(C)(Oc2nc(-c3cnn(C(=O)OC(C)(C)C)c3)cn3nccc23)C1
InChIInChI=1S/C25H34N6O5/c1-23(2,3)34-20(32)13-26-17-10-25(7,11-17)35-21-19-8-9-27-30(19)15-18(29-21)16-12-28-31(14-16)22(33)36-24(4,5)6/h8-9,12,14-15,17,26H,10-11,13H2,1-7H3
InChIKeyLTNACUZBRCMOSU-UHFFFAOYSA-N
XLogP3.61
TPSA121.87 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.58
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze tert-butyl 4-[4-[1-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[1-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[1-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate (CID 163302104) is tert-butyl 4-[4-[1-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[1-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[1-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate is CC(C)(C)OC(=O)CNC1CC(C)(Oc2nc(-c3cnn(C(=O)OC(C)(C)C)c3)cn3nccc23)C1.
What is the InChIKey of tert-butyl 4-[4-[1-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate?
The InChIKey is LTNACUZBRCMOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O5/c1-23(2,3)34-20(32)13-26-17-10-25(7,11-17)35-21-19-8-9-27-30(19)15-18(29-21)16-12-28-31(14-16)22(33)36-24(4,5)6/h8-9,12,14-15,17,26H,10-11,13H2,1-7H3.
What are the key properties of tert-butyl 4-[4-[1-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate?
tert-butyl 4-[4-[1-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate has a molecular weight of 498.58 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[1-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate is sourced from PubChem (CID 163302104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).