tert-butyl (2S)-2-(7-acetamido-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate

C20H29N5O3 — CID 58029963

IUPACtert-butyl (2S)-2-(7-acetamido-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
SMILESCC(=O)Nc1c(C)c(C)nc2cc([C@@H]3CCCCN3C(=O)OC(C)(C)C)nn12
InChIInChI=1S/C20H29N5O3/c1-12-13(2)21-17-11-15(23-25(17)18(12)22-14(3)26)16-9-7-8-10-24(16)19(27)28-20(4,5)6/h11,16H,7-10H2,1-6H3,(H,22,26)/t16-/m0/s1
InChIKeyQZLWKRJWCSFFPE-INIZCTEOSA-N
MW387.48 g/mol
LogP3.77
Rot. Bonds2

About tert-butyl (2S)-2-(7-acetamido-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate

tert-butyl (2S)-2-(7-acetamido-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate (PubChem CID 58029963) has the molecular formula C20H29N5O3 and a molecular weight of 387.48 g/mol. Its IUPAC name is tert-butyl (2S)-2-(7-acetamido-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(7-acetamido-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
PubChem CID58029963
Molecular FormulaC20H29N5O3
Molecular Weight387.48 g/mol
Exact Mass387.23
IUPAC Nametert-butyl (2S)-2-(7-acetamido-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
SMILESCC(=O)Nc1c(C)c(C)nc2cc([C@@H]3CCCCN3C(=O)OC(C)(C)C)nn12
InChIInChI=1S/C20H29N5O3/c1-12-13(2)21-17-11-15(23-25(17)18(12)22-14(3)26)16-9-7-8-10-24(16)19(27)28-20(4,5)6/h11,16H,7-10H2,1-6H3,(H,22,26)/t16-/m0/s1
InChIKeyQZLWKRJWCSFFPE-INIZCTEOSA-N
XLogP3.77
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2S)-2-(7-acetamido-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 2-(7-chloro-5-methylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
CID 76668456
tert-butyl 2-[5-(azetidin-1-yl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carboxylate
CID 76667892
tert-butyl (2S)-2-[7-chloro-6-[(1-ethylazetidin-3-yl)methyl]-5-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carboxylate
CID 126536895
tert-butyl 2-(9-amino-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidine-1-carboxylate
CID 121406413
tert-butyl 2-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxylate
CID 175471053
tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 58029491
tert-butyl (2R)-2-(3-amino-1H-pyrazol-5-yl)piperidine-1-carboxylate
CID 58029440
tert-butyl 2-[2-(4-acetamidophenyl)-1,3-thiazol-4-yl]piperidine-1-carboxylate
CID 67359398
tert-butyl (2S)-2-(5,7-dimethylpyrazolo[1,5-a]pyridin-2-yl)piperidine-1-carboxylate;5,7-dimethyl-2-[(2S)-piperidin-2-yl]pyrazolo[1,5-a]pyridine
CID 157399695
tert-butyl (2S)-2-(3-methyl-1,2-thiazol-5-yl)pyrrolidine-1-carboxylate
CID 10084409
3-[2-[(2S)-1-(cyclopropanecarbonyl)piperidin-2-yl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-cyclopropylpropanamide
CID 125003838
tert-butyl (2R)-2-(2-acetamido-1,3-thiazol-4-yl)pyrrolidine-1-carboxylate;tert-butyl (2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidine-1-carboxylate
CID 159351798

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(7-acetamido-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(7-acetamido-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate (CID 58029963) is tert-butyl (2S)-2-(7-acetamido-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(7-acetamido-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(7-acetamido-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate is CC(=O)Nc1c(C)c(C)nc2cc([C@@H]3CCCCN3C(=O)OC(C)(C)C)nn12.
What is the InChIKey of tert-butyl (2S)-2-(7-acetamido-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate?
The InChIKey is QZLWKRJWCSFFPE-INIZCTEOSA-N. The full InChI is InChI=1S/C20H29N5O3/c1-12-13(2)21-17-11-15(23-25(17)18(12)22-14(3)26)16-9-7-8-10-24(16)19(27)28-20(4,5)6/h11,16H,7-10H2,1-6H3,(H,22,26)/t16-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(7-acetamido-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate?
tert-butyl (2S)-2-(7-acetamido-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate has a molecular weight of 387.48 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(7-acetamido-5,6-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 58029963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).