tert-butyl (2S)-2-(5-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate

C23H33N5O3 — CID 58029796

IUPACtert-butyl (2S)-2-(5-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1c1cc2nc(C3CC3)cc(N3CCOCC3)n2n1
InChIInChI=1S/C23H33N5O3/c1-23(2,3)31-22(29)27-9-5-4-6-19(27)18-14-20-24-17(16-7-8-16)15-21(28(20)25-18)26-10-12-30-13-11-26/h14-16,19H,4-13H2,1-3H3/t19-/m0/s1
InChIKeyOKRLYTOZLBUIQP-IBGZPJMESA-N
MW427.55 g/mol
LogP3.91
Rot. Bonds3

About tert-butyl (2S)-2-(5-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate

tert-butyl (2S)-2-(5-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate (PubChem CID 58029796) has the molecular formula C23H33N5O3 and a molecular weight of 427.55 g/mol. Its IUPAC name is tert-butyl (2S)-2-(5-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(5-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
PubChem CID58029796
Molecular FormulaC23H33N5O3
Molecular Weight427.55 g/mol
Exact Mass427.26
IUPAC Nametert-butyl (2S)-2-(5-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC[C@H]1c1cc2nc(C3CC3)cc(N3CCOCC3)n2n1
InChIInChI=1S/C23H33N5O3/c1-23(2,3)31-22(29)27-9-5-4-6-19(27)18-14-20-24-17(16-7-8-16)15-21(28(20)25-18)26-10-12-30-13-11-26/h14-16,19H,4-13H2,1-3H3/t19-/m0/s1
InChIKeyOKRLYTOZLBUIQP-IBGZPJMESA-N
XLogP3.91
TPSA72.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl (2S)-2-(5-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(5-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(5-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate (CID 58029796) is tert-butyl (2S)-2-(5-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(5-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(5-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC[C@H]1c1cc2nc(C3CC3)cc(N3CCOCC3)n2n1.
What is the InChIKey of tert-butyl (2S)-2-(5-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate?
The InChIKey is OKRLYTOZLBUIQP-IBGZPJMESA-N. The full InChI is InChI=1S/C23H33N5O3/c1-23(2,3)31-22(29)27-9-5-4-6-19(27)18-14-20-24-17(16-7-8-16)15-21(28(20)25-18)26-10-12-30-13-11-26/h14-16,19H,4-13H2,1-3H3/t19-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(5-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate?
tert-butyl (2S)-2-(5-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate has a molecular weight of 427.55 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(5-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 58029796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).