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

C24H32N6O5 — CID 163301845

IUPACtert-butyl 4-[4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate
SMILESCN(C(=O)OC(C)(C)C)C1CC(Oc2nc(-c3cnn(C(=O)OC(C)(C)C)c3)cn3nccc23)C1
InChIInChI=1S/C24H32N6O5/c1-23(2,3)34-21(31)28(7)16-10-17(11-16)33-20-19-8-9-25-29(19)14-18(27-20)15-12-26-30(13-15)22(32)35-24(4,5)6/h8-9,12-14,16-17H,10-11H2,1-7H3
InChIKeyRAAWUCICCNFVJJ-UHFFFAOYSA-N
MW484.56 g/mol
LogP4.15
Rot. Bonds4

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

tert-butyl 4-[4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate (PubChem CID 163301845) has the molecular formula C24H32N6O5 and a molecular weight of 484.56 g/mol. Its IUPAC name is tert-butyl 4-[4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate
PubChem CID163301845
Molecular FormulaC24H32N6O5
Molecular Weight484.56 g/mol
Exact Mass484.24
IUPAC Nametert-butyl 4-[4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate
SMILESCN(C(=O)OC(C)(C)C)C1CC(Oc2nc(-c3cnn(C(=O)OC(C)(C)C)c3)cn3nccc23)C1
InChIInChI=1S/C24H32N6O5/c1-23(2,3)34-21(31)28(7)16-10-17(11-16)33-20-19-8-9-25-29(19)14-18(27-20)15-12-26-30(13-15)22(32)35-24(4,5)6/h8-9,12-14,16-17H,10-11H2,1-7H3
InChIKeyRAAWUCICCNFVJJ-UHFFFAOYSA-N
XLogP4.15
TPSA113.08 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazetidine-1-carboxylate
CID 163301724
tert-butyl N-methyl-N-[(1R,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexyl]carbamate
CID 177078463
tert-butyl 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazepane-1-carboxylate
CID 163302037
N-methyl-N-[(1S,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentyl]prop-2-enamide
CID 163302325
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
tert-butyl N-methyl-N-[(1R,3S)-3-[6-(1-methylpyrazol-4-yl)-3-phenylpyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentyl]carbamate
CID 163301622
tert-butyl (4R)-4-(6-phenylpyrazolo[1,5-a]pyrazin-4-yl)oxyazepane-1-carboxylate
CID 163302274
1-[(4S)-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazepan-1-yl]ethanone
CID 163302299
tert-butyl 4-(6-ethenylpyrazolo[1,5-a]pyrazin-4-yl)pyrazole-1-carboxylate
CID 130355845
1-[(3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-6-azabicyclo[3.2.0]heptan-6-yl]prop-2-en-1-one
CID 163301693
(3S,5R)-N-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyoxan-3-amine
CID 167070776
cis-(1S,3R)-N-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclohexan-1-amine
CID 163301689

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate (CID 163301845) is tert-butyl 4-[4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate is CN(C(=O)OC(C)(C)C)C1CC(Oc2nc(-c3cnn(C(=O)OC(C)(C)C)c3)cn3nccc23)C1.
What is the InChIKey of tert-butyl 4-[4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate?
The InChIKey is RAAWUCICCNFVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O5/c1-23(2,3)34-21(31)28(7)16-10-17(11-16)33-20-19-8-9-25-29(19)14-18(27-20)15-12-26-30(13-15)22(32)35-24(4,5)6/h8-9,12-14,16-17H,10-11H2,1-7H3.
What are the key properties of tert-butyl 4-[4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate?
tert-butyl 4-[4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate has a molecular weight of 484.56 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclobutyl]oxypyrazolo[1,5-a]pyrazin-6-yl]pyrazole-1-carboxylate is sourced from PubChem (CID 163301845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).