tert-butyl (3S,4S)-3-hydroxy-4-[[[4-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate

C24H33N7O3 — CID 169291402

IUPACtert-butyl (3S,4S)-3-hydroxy-4-[[[4-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate
SMILESCC(C)c1cnn2ccc(-c3ccnc(NC[C@@H]4CCN(C(=O)OC(C)(C)C)C[C@H]4O)n3)nc12
InChIInChI=1S/C24H33N7O3/c1-15(2)17-13-27-31-11-8-19(28-21(17)31)18-6-9-25-22(29-18)26-12-16-7-10-30(14-20(16)32)23(33)34-24(3,4)5/h6,8-9,11,13,15-16,20,32H,7,10,12,14H2,1-5H3,(H,25,26,29)/t16-,20+/m0/s1
InChIKeyHHKCYVKGXFAINR-OXJNMPFZSA-N
MW467.57 g/mol
LogP3.34
Rot. Bonds5

About tert-butyl (3S,4S)-3-hydroxy-4-[[[4-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate

tert-butyl (3S,4S)-3-hydroxy-4-[[[4-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate (PubChem CID 169291402) has the molecular formula C24H33N7O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is tert-butyl (3S,4S)-3-hydroxy-4-[[[4-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4S)-3-hydroxy-4-[[[4-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate
PubChem CID169291402
Molecular FormulaC24H33N7O3
Molecular Weight467.57 g/mol
Exact Mass467.26
IUPAC Nametert-butyl (3S,4S)-3-hydroxy-4-[[[4-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate
SMILESCC(C)c1cnn2ccc(-c3ccnc(NC[C@@H]4CCN(C(=O)OC(C)(C)C)C[C@H]4O)n3)nc12
InChIInChI=1S/C24H33N7O3/c1-15(2)17-13-27-31-11-8-19(28-21(17)31)18-6-9-25-22(29-18)26-12-16-7-10-30(14-20(16)32)23(33)34-24(3,4)5/h6,8-9,11,13,15-16,20,32H,7,10,12,14H2,1-5H3,(H,25,26,29)/t16-,20+/m0/s1
InChIKeyHHKCYVKGXFAINR-OXJNMPFZSA-N
XLogP3.34
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl (3S,4S)-3-hydroxy-4-[[[4-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrimidin-2-yl]amino]methyl]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

tert-butyl (3R,4R)-3-hydroxy-4-[[[7-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpyrazol-3-yl)methyl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-1-carboxylate
CID 172801824
tert-butyl (3R,4R)-3-hydroxy-4-[[[7-[imidazo[1,2-a]pyridin-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-1-carboxylate
CID 156790949
tert-butyl (3S)-3-[[(4-naphthalen-2-ylpyrimidin-2-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 91180125
tert-butyl N-[1-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-4-yl]carbamate
CID 175980138
tert-butyl (3R,4R)-4-[[[7-[[(1S)-1-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]-3-hydroxypiperidine-1-carboxylate
CID 175848507
(3S,4S)-4-[[[4-(3-cyclobutylpyrazolo[1,5-a]pyrimidin-5-yl)pyrimidin-2-yl]amino]methyl]piperidin-3-ol
CID 169291438
tert-butyl (3R)-3-[[(4-methylpyrimidin-2-yl)amino]methyl]piperidine-1-carboxylate
CID 95732016
tert-butyl (3S,4R)-3-methylsulfonyloxy-4-[(pyrimidin-2-ylamino)methyl]piperidine-1-carboxylate
CID 71475006
cis-(1R,2S)-2-[[(4-pyrazolo[1,5-a]pyrimidin-5-ylpyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 170278821
tert-butyl 3-[2-[[4-(2-methylpropoxy)phenyl]methylamino]pyrimidin-4-yl]pyrrolidine-1-carboxylate
CID 175433589
tert-butyl (3R,4R)-3-hydroxy-4-[[[7-[[3-(3-methylbut-2-enoylamino)phenyl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl]amino]methyl]piperidine-1-carboxylate
CID 170599102
tert-butyl (3S,4R)-4-[(6-chloro-3-pyridinyl)methyl]-3-hydroxypiperidine-1-carboxylate
CID 175662196

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S,4S)-3-hydroxy-4-[[[4-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3S,4S)-3-hydroxy-4-[[[4-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate (CID 169291402) is tert-butyl (3S,4S)-3-hydroxy-4-[[[4-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3S,4S)-3-hydroxy-4-[[[4-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3S,4S)-3-hydroxy-4-[[[4-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate is CC(C)c1cnn2ccc(-c3ccnc(NC[C@@H]4CCN(C(=O)OC(C)(C)C)C[C@H]4O)n3)nc12.
What is the InChIKey of tert-butyl (3S,4S)-3-hydroxy-4-[[[4-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is HHKCYVKGXFAINR-OXJNMPFZSA-N. The full InChI is InChI=1S/C24H33N7O3/c1-15(2)17-13-27-31-11-8-19(28-21(17)31)18-6-9-25-22(29-18)26-12-16-7-10-30(14-20(16)32)23(33)34-24(3,4)5/h6,8-9,11,13,15-16,20,32H,7,10,12,14H2,1-5H3,(H,25,26,29)/t16-,20+/m0/s1.
What are the key properties of tert-butyl (3S,4S)-3-hydroxy-4-[[[4-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate?
tert-butyl (3S,4S)-3-hydroxy-4-[[[4-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 467.57 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4S)-3-hydroxy-4-[[[4-(3-propan-2-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrimidin-2-yl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 169291402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).