tert-butyl 3-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)imidazol-4-yl]piperidine-1-carboxylate

C28H34N8O3 — CID 168921768

IUPACtert-butyl 3-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)imidazol-4-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2cn(-c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)cn2)C1
InChIInChI=1S/C28H34N8O3/c1-28(2,3)39-27(37)34-10-4-5-21(17-34)23-18-35(19-30-23)24-16-26(33-11-13-38-14-12-33)36-25(31-24)15-22(32-36)20-6-8-29-9-7-20/h6-9,15-16,18-19,21H,4-5,10-14,17H2,1-3H3
InChIKeyYRUGHMNHWVBZIX-UHFFFAOYSA-N
MW530.63 g/mol
LogP3.93
Rot. Bonds4

About tert-butyl 3-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)imidazol-4-yl]piperidine-1-carboxylate

tert-butyl 3-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)imidazol-4-yl]piperidine-1-carboxylate (PubChem CID 168921768) has the molecular formula C28H34N8O3 and a molecular weight of 530.63 g/mol. Its IUPAC name is tert-butyl 3-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)imidazol-4-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)imidazol-4-yl]piperidine-1-carboxylate
PubChem CID168921768
Molecular FormulaC28H34N8O3
Molecular Weight530.63 g/mol
Exact Mass530.28
IUPAC Nametert-butyl 3-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)imidazol-4-yl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(c2cn(-c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)cn2)C1
InChIInChI=1S/C28H34N8O3/c1-28(2,3)39-27(37)34-10-4-5-21(17-34)23-18-35(19-30-23)24-16-26(33-11-13-38-14-12-33)36-25(31-24)15-22(32-36)20-6-8-29-9-7-20/h6-9,15-16,18-19,21H,4-5,10-14,17H2,1-3H3
InChIKeyYRUGHMNHWVBZIX-UHFFFAOYSA-N
XLogP3.93
TPSA102.91 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.63
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze tert-butyl 3-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)imidazol-4-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrazol-3-yl]piperidine-1-carboxylate
CID 168922087
2-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-5-(oxan-4-yl)-1H-pyrazol-3-one
CID 162379298
tert-butyl 3-[4-(9-methyl-6-morpholin-4-yl-8-pyridin-4-ylpurin-2-yl)pyrimidin-2-yl]piperidine-1-carboxylate
CID 162379193
tert-butyl 3-pyridin-4-ylpiperidine-1-carboxylate
CID 164734560
tert-butyl (3S)-3-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
CID 124518617
tert-butyl 3-[(1-methyl-6-oxo-4-pyridin-4-ylpyrimidin-2-yl)amino]piperidine-1-carboxylate
CID 59576852
4-methyl-1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)-3-phenylpiperazin-2-one
CID 168921735
4-[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-2-pyridinyl]benzoic acid
CID 110162076
[(3R)-3-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 95867832
tert-butyl (3R)-3-(6-chloro-2-methylpyrimidin-4-yl)piperidine-1-carboxylate
CID 95970009
tert-butyl 3-(7-aminopyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;tert-butyl 3-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate
CID 160997114
tert-butyl 3-(7-methylsulfanylpyrazolo[1,5-a]pyrimidin-5-yl)piperidine-1-carboxylate;5-cyclohexyl-7-methylsulfanylpyrazolo[1,5-a]pyrimidine
CID 158331380

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)imidazol-4-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)imidazol-4-yl]piperidine-1-carboxylate (CID 168921768) is tert-butyl 3-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)imidazol-4-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)imidazol-4-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)imidazol-4-yl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(c2cn(-c3cc(N4CCOCC4)n4nc(-c5ccncc5)cc4n3)cn2)C1.
What is the InChIKey of tert-butyl 3-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)imidazol-4-yl]piperidine-1-carboxylate?
The InChIKey is YRUGHMNHWVBZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N8O3/c1-28(2,3)39-27(37)34-10-4-5-21(17-34)23-18-35(19-30-23)24-16-26(33-11-13-38-14-12-33)36-25(31-24)15-22(32-36)20-6-8-29-9-7-20/h6-9,15-16,18-19,21H,4-5,10-14,17H2,1-3H3.
What are the key properties of tert-butyl 3-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)imidazol-4-yl]piperidine-1-carboxylate?
tert-butyl 3-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)imidazol-4-yl]piperidine-1-carboxylate has a molecular weight of 530.63 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[1-(7-morpholin-4-yl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)imidazol-4-yl]piperidine-1-carboxylate is sourced from PubChem (CID 168921768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).