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

C22H31N5O4 — CID 58207059

IUPACtert-butyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)Cc2cc(N3CCOCC3)n3nccc3n2)CC1
InChIInChI=1S/C22H31N5O4/c1-22(2,3)31-21(29)26-8-5-16(6-9-26)18(28)14-17-15-20(25-10-12-30-13-11-25)27-19(24-17)4-7-23-27/h4,7,15-16H,5-6,8-14H2,1-3H3
InChIKeySPCLAQSEEZLETE-UHFFFAOYSA-N
MW429.52 g/mol
LogP2.32
Rot. Bonds4

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

tert-butyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]piperidine-1-carboxylate (PubChem CID 58207059) has the molecular formula C22H31N5O4 and a molecular weight of 429.52 g/mol. Its IUPAC name is tert-butyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]piperidine-1-carboxylate
PubChem CID58207059
Molecular FormulaC22H31N5O4
Molecular Weight429.52 g/mol
Exact Mass429.24
IUPAC Nametert-butyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(C(=O)Cc2cc(N3CCOCC3)n3nccc3n2)CC1
InChIInChI=1S/C22H31N5O4/c1-22(2,3)31-21(29)26-8-5-16(6-9-26)18(28)14-17-15-20(25-10-12-30-13-11-25)27-19(24-17)4-7-23-27/h4,7,15-16H,5-6,8-14H2,1-3H3
InChIKeySPCLAQSEEZLETE-UHFFFAOYSA-N
XLogP2.32
TPSA89.27 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-Butyl 3-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
CID 110213910
4,4,4-Trifluoro-1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)butan-2-one
CID 58207349
Tert-butyl 3-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
CID 24865606
Tert-butyl 4-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
CID 25802628
Tert-butyl 4-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate
CID 126468639
Tert-butyl 3-[7-[(2-methylpropan-2-yl)oxycarbonyl-(2-trimethylsilylethoxymethyl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 57891313
Tert-butyl 3-(7-(bis((2-(trimethylsilyl)ethoxy)methyl)amino)pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
CID 57891392
Tert-butyl 3-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
CID 57891408
tert-butyl (2S)-2-(5-cyclopropyl-7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)piperidine-1-carboxylate
CID 58029796
5-(Dimethylamino)-1-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pentan-2-one
CID 58206942
1-Cyclopropyl-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
CID 58207026
1-Cyclopentyl-2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)ethanone
CID 58207083

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]piperidine-1-carboxylate (CID 58207059) is tert-butyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(C(=O)Cc2cc(N3CCOCC3)n3nccc3n2)CC1.
What is the InChIKey of tert-butyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]piperidine-1-carboxylate?
The InChIKey is SPCLAQSEEZLETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O4/c1-22(2,3)31-21(29)26-8-5-16(6-9-26)18(28)14-17-15-20(25-10-12-30-13-11-25)27-19(24-17)4-7-23-27/h4,7,15-16H,5-6,8-14H2,1-3H3.
What are the key properties of tert-butyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]piperidine-1-carboxylate?
tert-butyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]piperidine-1-carboxylate has a molecular weight of 429.52 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)acetyl]piperidine-1-carboxylate is sourced from PubChem (CID 58207059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).