[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 4-[[5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate

C33H50FN7O5 — CID 171798286

IUPAC[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 4-[[5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate
SMILESCC(C)c1cnn2c(NC3CCN(C(=O)OC4CCN(C(=O)OC(C)(C)C)C4)CC3)cc(O[C@@H]3CCCN(CC4(F)CC4)C3)nc12
InChIInChI=1S/C33H50FN7O5/c1-22(2)26-18-35-41-27(17-28(37-29(26)41)44-24-7-6-13-38(19-24)21-33(34)11-12-33)36-23-8-14-39(15-9-23)30(42)45-25-10-16-40(20-25)31(43)46-32(3,4)5/h17-18,22-25,36H,6-16,19-21H2,1-5H3/t24-,25?/m1/s1
InChIKeyXTPIUTZYURJGLJ-IKOFQBKESA-N
MW643.81 g/mol
LogP5.22
Rot. Bonds8

About [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 4-[[5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate

[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 4-[[5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate (PubChem CID 171798286) has the molecular formula C33H50FN7O5 and a molecular weight of 643.81 g/mol. Its IUPAC name is [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 4-[[5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Name[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 4-[[5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate
PubChem CID171798286
Molecular FormulaC33H50FN7O5
Molecular Weight643.81 g/mol
Exact Mass643.39
IUPAC Name[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 4-[[5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate
SMILESCC(C)c1cnn2c(NC3CCN(C(=O)OC4CCN(C(=O)OC(C)(C)C)C4)CC3)cc(O[C@@H]3CCCN(CC4(F)CC4)C3)nc12
InChIInChI=1S/C33H50FN7O5/c1-22(2)26-18-35-41-27(17-28(37-29(26)41)44-24-7-6-13-38(19-24)21-33(34)11-12-33)36-23-8-14-39(15-9-23)30(42)45-25-10-16-40(20-25)31(43)46-32(3,4)5/h17-18,22-25,36H,6-16,19-21H2,1-5H3/t24-,25?/m1/s1
InChIKeyXTPIUTZYURJGLJ-IKOFQBKESA-N
XLogP5.22
TPSA113.77 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500643.81
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 4-[[5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-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

[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl] 4-[[5-[(3R)-1-(1-fluorocyclopropanecarbonyl)piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate
CID 171798420
azetidin-3-yl 4-[[5-[(3R)-1-(1-fluorocyclopropanecarbonyl)piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate
CID 171798501
(1-but-2-ynoylpyrrolidin-3-yl) 4-[[5-(difluoromethoxy)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate
CID 171798628
[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 5-[[5-(oxan-4-ylamino)-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 171798280
[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 8-[(5-ethenyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 171798689
tert-butyl 3-[7-[3-[(4-fluorobenzoyl)amino]-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidine-1-carboxylate
CID 177358706
tert-butyl 3-[7-[3-[(4-dimethylphosphorylbenzoyl)amino]-N-[(2-methylpropan-2-yl)oxycarbonyl]anilino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxypiperidine-1-carboxylate
CID 177358747
[1-(2-fluoroprop-2-enoyl)azetidin-3-yl] 3-[[5-[(3R)-piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171798560
tert-butyl 5-[7-[(3-dimethylphosphorylphenyl)methylamino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]oxy-2,2-dimethylpiperidine-1-carboxylate
CID 170358269
[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl] 4-[(2-methyl-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-4-yl)amino]piperidine-1-carboxylate
CID 163790869
(1-phenylmethoxycarbonylazetidin-3-yl) 4-[(5-chloro-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]piperidine-1-carboxylate
CID 171798596
tert-butyl (3R)-3-[4-(2,3-dihydro-1H-indol-4-ylmethylamino)-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]oxypiperidine-1-carboxylate
CID 170358146

Frequently Asked Questions

What is the IUPAC name of [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 4-[[5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate?
The IUPAC name of [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 4-[[5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate (CID 171798286) is [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 4-[[5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 4-[[5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 4-[[5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate is CC(C)c1cnn2c(NC3CCN(C(=O)OC4CCN(C(=O)OC(C)(C)C)C4)CC3)cc(O[C@@H]3CCCN(CC4(F)CC4)C3)nc12.
What is the InChIKey of [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 4-[[5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate?
The InChIKey is XTPIUTZYURJGLJ-IKOFQBKESA-N. The full InChI is InChI=1S/C33H50FN7O5/c1-22(2)26-18-35-41-27(17-28(37-29(26)41)44-24-7-6-13-38(19-24)21-33(34)11-12-33)36-23-8-14-39(15-9-23)30(42)45-25-10-16-40(20-25)31(43)46-32(3,4)5/h17-18,22-25,36H,6-16,19-21H2,1-5H3/t24-,25?/m1/s1.
What are the key properties of [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 4-[[5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate?
[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 4-[[5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate has a molecular weight of 643.81 g/mol, XLogP of 5.22, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl] 4-[[5-[(3R)-1-[(1-fluorocyclopropyl)methyl]piperidin-3-yl]oxy-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 171798286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).