tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate

C33H46F4N8O5 — CID 158382295

IUPACtert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](N)C1.COc1nc(-c2cnc3ccc(F)cn23)nc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(F)(F)F
InChIInChI=1S/C23H26F4N6O3.C10H20N2O2/c1-22(2,3)36-21(34)32-9-5-6-14(12-32)29-19-17(23(25,26)27)20(35-4)31-18(30-19)15-10-28-16-8-7-13(24)11-33(15)16;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h7-8,10-11,14H,5-6,9,12H2,1-4H3,(H,29,30,31);8H,4-7,11H2,1-3H3/t14-;8-/m11/s1
InChIKeyGVYDKZUWIAFEFU-PBPUAIFLSA-N
MW710.77 g/mol
LogP6.11
Rot. Bonds4

About tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate

tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate (PubChem CID 158382295) has the molecular formula C33H46F4N8O5 and a molecular weight of 710.77 g/mol. Its IUPAC name is tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
PubChem CID158382295
Molecular FormulaC33H46F4N8O5
Molecular Weight710.77 g/mol
Exact Mass710.35
IUPAC Nametert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H](N)C1.COc1nc(-c2cnc3ccc(F)cn23)nc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(F)(F)F
InChIInChI=1S/C23H26F4N6O3.C10H20N2O2/c1-22(2,3)36-21(34)32-9-5-6-14(12-32)29-19-17(23(25,26)27)20(35-4)31-18(30-19)15-10-28-16-8-7-13(24)11-33(15)16;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h7-8,10-11,14H,5-6,9,12H2,1-4H3,(H,29,30,31);8H,4-7,11H2,1-3H3/t14-;8-/m11/s1
InChIKeyGVYDKZUWIAFEFU-PBPUAIFLSA-N
XLogP6.11
TPSA149.44 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500710.77
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

N-((3S,4S)-4-fluoropiperidin-3-yl)-4-(7-isopropoxyimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
CID 167450061
1-[3-[7-(4-Methoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 44546690
1-[3-[7-(4,6-Dimethoxypyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 68162274
Tert-butyl 4-[[3-imino-2-[3-[5-(2,2,2-trifluoroethylcarbamoylamino)-3-pyridinyl]imidazo[1,2-a]pyridin-7-yl]propylidene]amino]piperidine-1-carboxylate
CID 86766761
N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyridin-2-amine
CID 97415887
4-methoxy-N-[1-[(6-methylimidazo[1,2-a]pyridin-3-yl)methyl]piperidin-4-yl]pyrimidin-2-amine
CID 126795492
4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 49835502
3-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
CID 53260937
N-[(3R)-piperidin-3-yl]-6-[7-(1,1,1-trifluoropropan-2-yloxy)imidazo[1,2-a]pyridin-3-yl]pyrazin-2-amine
CID 58303402
4-[3-(6-amino-2-methylpyrimidin-4-yl)-2-[(5-fluoro-6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 66789004
tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 67240799
Tert-butyl 3-[[5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 67241248

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate (CID 158382295) is tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H](N)C1.COc1nc(-c2cnc3ccc(F)cn23)nc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1C(F)(F)F.
What is the InChIKey of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The InChIKey is GVYDKZUWIAFEFU-PBPUAIFLSA-N. The full InChI is InChI=1S/C23H26F4N6O3.C10H20N2O2/c1-22(2,3)36-21(34)32-9-5-6-14(12-32)29-19-17(23(25,26)27)20(35-4)31-18(30-19)15-10-28-16-8-7-13(24)11-33(15)16;1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h7-8,10-11,14H,5-6,9,12H2,1-4H3,(H,29,30,31);8H,4-7,11H2,1-3H3/t14-;8-/m11/s1.
What are the key properties of tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate?
tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate has a molecular weight of 710.77 g/mol, XLogP of 6.11, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxy-5-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 158382295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).